1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine

C16H27N3 — CID 65072495

IUPAC1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine
SMILESCC(NC1CCCN(C(C)C)CC1)c1ccncc1
InChIInChI=1S/C16H27N3/c1-13(2)19-11-4-5-16(8-12-19)18-14(3)15-6-9-17-10-7-15/h6-7,9-10,13-14,16,18H,4-5,8,11-12H2,1-3H3
InChIKeyGKFPOFHHMVXGEF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.00
Rot. Bonds4

About 1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine

1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine (PubChem CID 65072495) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine
PubChem CID65072495
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine
SMILESCC(NC1CCCN(C(C)C)CC1)c1ccncc1
InChIInChI=1S/C16H27N3/c1-13(2)19-11-4-5-16(8-12-19)18-14(3)15-6-9-17-10-7-15/h6-7,9-10,13-14,16,18H,4-5,8,11-12H2,1-3H3
InChIKeyGKFPOFHHMVXGEF-UHFFFAOYSA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 81353013
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073904
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
CID 97107115
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
CID 43751306

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine?
The IUPAC name of 1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine (CID 65072495) is 1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine?
The canonical SMILES for 1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine is CC(NC1CCCN(C(C)C)CC1)c1ccncc1.
What is the InChIKey of 1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine?
The InChIKey is GKFPOFHHMVXGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)19-11-4-5-16(8-12-19)18-14(3)15-6-9-17-10-7-15/h6-7,9-10,13-14,16,18H,4-5,8,11-12H2,1-3H3.
What are the key properties of 1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine?
1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine is sourced from PubChem (CID 65072495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).