[2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine

C19H30N2 — CID 79973047

IUPAC[2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine
SMILESCCCN1CCCCC(CN)C1c1cccc(C2CC2)c1
InChIInChI=1S/C19H30N2/c1-2-11-21-12-4-3-6-18(14-20)19(21)17-8-5-7-16(13-17)15-9-10-15/h5,7-8,13,15,18-19H,2-4,6,9-12,14,20H2,1H3
InChIKeyLXZDSKYRNNMQKI-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.08
Rot. Bonds5

About [2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine

[2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine (PubChem CID 79973047) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is [2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine
PubChem CID79973047
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name[2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine
SMILESCCCN1CCCCC(CN)C1c1cccc(C2CC2)c1
InChIInChI=1S/C19H30N2/c1-2-11-21-12-4-3-6-18(14-20)19(21)17-8-5-7-16(13-17)15-9-10-15/h5,7-8,13,15,18-19H,2-4,6,9-12,14,20H2,1H3
InChIKeyLXZDSKYRNNMQKI-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 79978121
[2-(2-chloro-6-methoxyphenyl)-1-propylazepan-3-yl]methanamine
CID 104818727
[2-(4-bromo-3-methylphenyl)-1-ethylazepan-3-yl]methanamine
CID 66479697
[2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 66479694
(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine
CID 178199859
[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 95241129
[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 81441629
2-(3,5-difluorophenyl)-1-propylazepan-3-amine
CID 106534377
[2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 113235018
[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
CID 113329185
[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine
CID 103570733
[2-(3-cyclopropylphenyl)oxan-3-yl]methanamine
CID 79978587

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine?
The IUPAC name of [2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine (CID 79973047) is [2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine.
What is the SMILES notation for [2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine?
The canonical SMILES for [2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine is CCCN1CCCCC(CN)C1c1cccc(C2CC2)c1.
What is the InChIKey of [2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine?
The InChIKey is LXZDSKYRNNMQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-11-21-12-4-3-6-18(14-20)19(21)17-8-5-7-16(13-17)15-9-10-15/h5,7-8,13,15,18-19H,2-4,6,9-12,14,20H2,1H3.
What are the key properties of [2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine?
[2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine has a molecular weight of 286.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine is sourced from PubChem (CID 79973047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).