N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine

C24H17NO2 — CID 58411310

IUPACN,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine
SMILESCN(C)c1cc2cc3ccc4c5cc6occc6cc5ccc4c3cc2o1
InChIInChI=1S/C24H17NO2/c1-25(2)24-11-17-10-15-4-6-18-19(21(15)13-23(17)27-24)5-3-14-9-16-7-8-26-22(16)12-20(14)18/h3-13H,1-2H3
InChIKeyDPFOWGJMARUCMG-UHFFFAOYSA-N
MW351.41 g/mol
LogP6.70
Rot. Bonds1

About N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine

N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine (PubChem CID 58411310) has the molecular formula C24H17NO2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine
PubChem CID58411310
Molecular FormulaC24H17NO2
Molecular Weight351.41 g/mol
Exact Mass351.13
IUPAC NameN,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine
SMILESCN(C)c1cc2cc3ccc4c5cc6occc6cc5ccc4c3cc2o1
InChIInChI=1S/C24H17NO2/c1-25(2)24-11-17-10-15-4-6-18-19(21(15)13-23(17)27-24)5-3-14-9-16-7-8-26-22(16)12-20(14)18/h3-13H,1-2H3
InChIKeyDPFOWGJMARUCMG-UHFFFAOYSA-N
XLogP6.70
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine with MolForge

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Related Compounds

6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411580
6-hexyl-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene
CID 58410855
N,N-dimethyl-1-benzofuran-2-amine
CID 21259133
6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411330
6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
CID 145018031
3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one
CID 3044964
6,18-di(nonyl)-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411060
5-methyl-1-benzofuran;6-methyl-1-benzofuran
CID 159816062
2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid
CID 86137784
2-(5H-furo[2,3-f]indol-7-yl)-N,N-dimethylethanamine
CID 168946902
17-butyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene
CID 89117036
4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one
CID 54448545

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine?
The IUPAC name of N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine (CID 58411310) is N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine.
What is the SMILES notation for N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine?
The canonical SMILES for N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine is CN(C)c1cc2cc3ccc4c5cc6occc6cc5ccc4c3cc2o1.
What is the InChIKey of N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine?
The InChIKey is DPFOWGJMARUCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO2/c1-25(2)24-11-17-10-15-4-6-18-19(21(15)13-23(17)27-24)5-3-14-9-16-7-8-26-22(16)12-20(14)18/h3-13H,1-2H3.
What are the key properties of N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine?
N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine has a molecular weight of 351.41 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-amine is sourced from PubChem (CID 58411310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).