N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine

C18H17NO — CID 135244837

IUPACN-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine
SMILESCNC(C)(C)c1ccc2oc3cccc4ccc1c2c43
InChIInChI=1S/C18H17NO/c1-18(2,19-3)13-9-10-15-17-12(13)8-7-11-5-4-6-14(20-15)16(11)17/h4-10,19H,1-3H3
InChIKeyAHHVROIHIIJABC-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.63
Rot. Bonds2

About N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine

N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine (PubChem CID 135244837) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine
PubChem CID135244837
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine
SMILESCNC(C)(C)c1ccc2oc3cccc4ccc1c2c43
InChIInChI=1S/C18H17NO/c1-18(2,19-3)13-9-10-15-17-12(13)8-7-11-5-4-6-14(20-15)16(11)17/h4-10,19H,1-3H3
InChIKeyAHHVROIHIIJABC-UHFFFAOYSA-N
XLogP4.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-ditert-butylpyrene
CID 628771
4-(10-phenanthren-4-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265069
3,8-ditert-butyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 121370541
4-N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 122599250
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617
15,36-ditert-butyl-7,26-dioxadodecacyclo[29.7.1.12,6.112,16.121,25.03,30.04,27.05,24.08,23.011,22.035,39.020,41]dotetraconta-1(38),2(42),3(30),4(27),5,8(23),9,11(22),12(41),13,15,17,19,21(40),24,28,31(39),32,34,36-icosaene
CID 171717271
1-propylnaphtho[2,1-b][1]benzofuran
CID 164945584
4-(10-naphthalen-2-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177264880
N-(6-tert-butylpyren-1-yl)-N-dibenzofuran-4-yldibenzofuran-4-amine
CID 176881413
6-tert-butyl-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 155929972
27-oxaoctacyclo[17.7.1.04,25.07,24.010,23.013,22.016,21.020,26]heptacosa-1(26),2,4(25),5,7(24),8,10(23),11,13(22),14,16(21),17,19-tridecaene
CID 177472934
2-(7-tert-butylpyren-1-yl)-8-(8-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556266

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine?
The IUPAC name of N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine (CID 135244837) is N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine.
What is the SMILES notation for N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine?
The canonical SMILES for N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine is CNC(C)(C)c1ccc2oc3cccc4ccc1c2c43.
What is the InChIKey of N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine?
The InChIKey is AHHVROIHIIJABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-18(2,19-3)13-9-10-15-17-12(13)8-7-11-5-4-6-14(20-15)16(11)17/h4-10,19H,1-3H3.
What are the key properties of N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine?
N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine has a molecular weight of 263.34 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)propan-2-amine is sourced from PubChem (CID 135244837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).