N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine

C24H40N6 — CID 176518358

IUPACN,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine
SMILESC/N=C1\CCCCCCC(NC)=C2/C=N/CCC/N=C\C1=C(C)NCCC/N=C/2C
InChIInChI=1S/C24H40N6/c1-19-21-17-27-13-9-14-28-18-22(20(2)30-16-10-15-29-19)24(26-4)12-8-6-5-7-11-23(21)25-3/h17-18,25,30H,5-16H2,1-4H3/b22-20?,23-21?,26-24+,27-17+,28-18-,29-19+
InChIKeyUUEGKLXRKNHTBM-XLJGMRPSSA-N
MW412.63 g/mol
LogP4.14
Rot. Bonds1

About N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine

N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine (PubChem CID 176518358) has the molecular formula C24H40N6 and a molecular weight of 412.63 g/mol. Its IUPAC name is N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine.

Molecular Properties

Compound NameN,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine
PubChem CID176518358
Molecular FormulaC24H40N6
Molecular Weight412.63 g/mol
Exact Mass412.33
IUPAC NameN,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine
SMILESC/N=C1\CCCCCCC(NC)=C2/C=N/CCC/N=C\C1=C(C)NCCC/N=C/2C
InChIInChI=1S/C24H40N6/c1-19-21-17-27-13-9-14-28-18-22(20(2)30-16-10-15-29-19)24(26-4)12-8-6-5-7-11-23(21)25-3/h17-18,25,30H,5-16H2,1-4H3/b22-20?,23-21?,26-24+,27-17+,28-18-,29-19+
InChIKeyUUEGKLXRKNHTBM-XLJGMRPSSA-N
XLogP4.14
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.63
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;(E)-4-ethyl-N,3-dimethylnon-3-en-5-imine;N-ethylpropan-1-amine
CID 141880163
2-N,2-N,9-N,9-N,11,17-hexamethyl-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene-2,9-diamine
CID 153994097
2-N,2-N,10-N,10-N,12,18-hexamethyl-13,17,20,24-tetrazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene-2,10-diamine
CID 154184288
Ethane;2-[2-(propan-2-ylamino)ethanimidoyl]cyclohexen-1-amine
CID 172348517
2-[2-(Propan-2-ylamino)ethanimidoyl]cyclohexen-1-amine
CID 172348518
(11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene
CID 176519327
2,11,20,26-Tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene
CID 176519328
(1Z,11Z)-2,11,13,19-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene
CID 176523532
2,10,19,25-Tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene
CID 176539137

Frequently Asked Questions

What is the IUPAC name of N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine?
The IUPAC name of N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine (CID 176518358) is N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine.
What is the SMILES notation for N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine?
The canonical SMILES for N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine is C/N=C1\CCCCCCC(NC)=C2/C=N/CCC/N=C\C1=C(C)NCCC/N=C/2C.
What is the InChIKey of N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine?
The InChIKey is UUEGKLXRKNHTBM-XLJGMRPSSA-N. The full InChI is InChI=1S/C24H40N6/c1-19-21-17-27-13-9-14-28-18-22(20(2)30-16-10-15-29-19)24(26-4)12-8-6-5-7-11-23(21)25-3/h17-18,25,30H,5-16H2,1-4H3/b22-20?,23-21?,26-24+,27-17+,28-18-,29-19+.
What are the key properties of N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine?
N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine has a molecular weight of 412.63 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine is sourced from PubChem (CID 176518358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).