N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C18H22N2 — CID 79484128

IUPACN-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESC[C@H](NC1CCCCc2ccccc21)c1ccccn1
InChIInChI=1S/C18H22N2/c1-14(17-11-6-7-13-19-17)20-18-12-5-3-9-15-8-2-4-10-16(15)18/h2,4,6-8,10-11,13-14,18,20H,3,5,9,12H2,1H3/t14-,18?/m0/s1
InChIKeyLXTQNPBMAPHNSI-PIVQAISJSA-N
MW266.39 g/mol
LogP4.20
Rot. Bonds3

About N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 79484128) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID79484128
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESC[C@H](NC1CCCCc2ccccc21)c1ccccn1
InChIInChI=1S/C18H22N2/c1-14(17-11-6-7-13-19-17)20-18-12-5-3-9-15-8-2-4-10-16(15)18/h2,4,6-8,10-11,13-14,18,20H,3,5,9,12H2,1H3/t14-,18?/m0/s1
InChIKeyLXTQNPBMAPHNSI-PIVQAISJSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81393164
N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63449232
6-methyl-N-(1-pyridin-2-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 81302409
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227
N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81301992
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83117666
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 79484128) is N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is C[C@H](NC1CCCCc2ccccc21)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is LXTQNPBMAPHNSI-PIVQAISJSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(17-11-6-7-13-19-17)20-18-12-5-3-9-15-8-2-4-10-16(15)18/h2,4,6-8,10-11,13-14,18,20H,3,5,9,12H2,1H3/t14-,18?/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 266.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 79484128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).