(1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine

C17H25N — CID 10705411

IUPAC(1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine
SMILESC/C1=C(\N[C@@H](C)c2ccccc2)CCCCCC1
InChIInChI=1S/C17H25N/c1-14-10-6-3-4-9-13-17(14)18-15(2)16-11-7-5-8-12-16/h5,7-8,11-12,15,18H,3-4,6,9-10,13H2,1-2H3/b17-14+/t15-/m0/s1
InChIKeyLAWBMVYAQIJXJO-JEFCNZTNSA-N
MW243.39 g/mol
LogP4.97
Rot. Bonds3

About (1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine

(1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine (PubChem CID 10705411) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine.

Molecular Properties

Compound Name(1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine
PubChem CID10705411
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine
SMILESC/C1=C(\N[C@@H](C)c2ccccc2)CCCCCC1
InChIInChI=1S/C17H25N/c1-14-10-6-3-4-9-13-17(14)18-15(2)16-11-7-5-8-12-16/h5,7-8,11-12,15,18H,3-4,6,9-10,13H2,1-2H3/b17-14+/t15-/m0/s1
InChIKeyLAWBMVYAQIJXJO-JEFCNZTNSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-phenylethylamino)cyclopentene-1-carboxylic acid
CID 22601904
methane;bis(methyl 2-[[(1R)-1-phenylethyl]amino]cycloheptene-1-carboxylate);molecular hydrogen;sulfane
CID 158509744
N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine
CID 2319890
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
N-(1-phenylethyl)-1,3-thiazol-4-amine
CID 57022691
(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
CID 10883424
N-(1-phenylethyl)cyclododecanamine
CID 60662638
1-O-tert-butyl 6-O-ethyl 5-(1-phenylethylamino)-2,3,4,7-tetrahydroazepine-1,6-dicarboxylate
CID 142867149
N-(1-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 20881847
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide
CID 75465727
4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
CID 19897292

Frequently Asked Questions

What is the IUPAC name of (1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine?
The IUPAC name of (1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine (CID 10705411) is (1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine.
What is the SMILES notation for (1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine?
The canonical SMILES for (1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine is C/C1=C(\N[C@@H](C)c2ccccc2)CCCCCC1.
What is the InChIKey of (1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine?
The InChIKey is LAWBMVYAQIJXJO-JEFCNZTNSA-N. The full InChI is InChI=1S/C17H25N/c1-14-10-6-3-4-9-13-17(14)18-15(2)16-11-7-5-8-12-16/h5,7-8,11-12,15,18H,3-4,6,9-10,13H2,1-2H3/b17-14+/t15-/m0/s1.
What are the key properties of (1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine?
(1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine is sourced from PubChem (CID 10705411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).