1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine

C18H29NO — CID 63514934

IUPAC1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCCCNC1CC(C)(C)CCc2c(OC)ccc(C)c21
InChIInChI=1S/C18H29NO/c1-6-11-19-15-12-18(3,4)10-9-14-16(20-5)8-7-13(2)17(14)15/h7-8,15,19H,6,9-12H2,1-5H3
InChIKeyFWAYMMHSSZNGAG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.41
Rot. Bonds4

About 1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine

1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 63514934) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID63514934
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCCCNC1CC(C)(C)CCc2c(OC)ccc(C)c21
InChIInChI=1S/C18H29NO/c1-6-11-19-15-12-18(3,4)10-9-14-16(20-5)8-7-13(2)17(14)15/h7-8,15,19H,6,9-12H2,1-5H3
InChIKeyFWAYMMHSSZNGAG-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63512495
5-bromo-1-methoxy-4,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulene
CID 63513368
3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 83048006
4-bromo-1-methoxy-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 55224609
8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737652
3-bromo-N-ethyl-1,4-dimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 105057499
4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 12773157
2,2,5,8-tetramethyl-N-propyl-1,3,4,9-tetrahydrocarbazol-4-amine
CID 65332594
7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63513012
1-bromo-3,4-dimethoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62736545
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 63514934) is 1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine is CCCNC1CC(C)(C)CCc2c(OC)ccc(C)c21.
What is the InChIKey of 1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is FWAYMMHSSZNGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-11-19-15-12-18(3,4)10-9-14-16(20-5)8-7-13(2)17(14)15/h7-8,15,19H,6,9-12H2,1-5H3.
What are the key properties of 1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 275.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 63514934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).