(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine

C19H29N — CID 81391460

IUPAC(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
SMILESC[C@H](NCc1cccc(C2CC2)c1)C1CCCCCC1
InChIInChI=1S/C19H29N/c1-15(17-8-4-2-3-5-9-17)20-14-16-7-6-10-19(13-16)18-11-12-18/h6-7,10,13,15,17-18,20H,2-5,8-9,11-12,14H2,1H3/t15-/m0/s1
InChIKeyBTTFNQQTYZCHSX-HNNXBMFYSA-N
MW271.45 g/mol
LogP5.01
Rot. Bonds5

About (1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine

(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine (PubChem CID 81391460) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
PubChem CID81391460
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
SMILESC[C@H](NCc1cccc(C2CC2)c1)C1CCCCCC1
InChIInChI=1S/C19H29N/c1-15(17-8-4-2-3-5-9-17)20-14-16-7-6-10-19(13-16)18-11-12-18/h6-7,10,13,15,17-18,20H,2-5,8-9,11-12,14H2,1H3/t15-/m0/s1
InChIKeyBTTFNQQTYZCHSX-HNNXBMFYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine
CID 97321615
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
CID 115714631
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine (CID 81391460) is (1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine is C[C@H](NCc1cccc(C2CC2)c1)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The InChIKey is BTTFNQQTYZCHSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N/c1-15(17-8-4-2-3-5-9-17)20-14-16-7-6-10-19(13-16)18-11-12-18/h6-7,10,13,15,17-18,20H,2-5,8-9,11-12,14H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine?
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine has a molecular weight of 271.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine is sourced from PubChem (CID 81391460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).