1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine

C16H33N3 — CID 79328072

IUPAC1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)C1CCCN(CCN2CCC(N)CC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)15-4-3-8-18(9-5-15)12-13-19-10-6-16(17)7-11-19/h14-16H,3-13,17H2,1-2H3
InChIKeyOYJFDVCNPBECMX-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine

1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine (PubChem CID 79328072) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine
PubChem CID79328072
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)C1CCCN(CCN2CCC(N)CC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)15-4-3-8-18(9-5-15)12-13-19-10-6-16(17)7-11-19/h14-16H,3-13,17H2,1-2H3
InChIKeyOYJFDVCNPBECMX-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
CID 176983543
3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine
CID 79814334
1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456
1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine
CID 102963901
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate
CID 66339331
2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol
CID 64828249
1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine
CID 79328295
N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine
CID 79566044
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine
CID 80561615
1-(2-methylbutyl)azocan-5-amine
CID 138578354

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine (CID 79328072) is 1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine is CC(C)C1CCCN(CCN2CCC(N)CC2)CC1.
What is the InChIKey of 1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine?
The InChIKey is OYJFDVCNPBECMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(2)15-4-3-8-18(9-5-15)12-13-19-10-6-16(17)7-11-19/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine?
1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 79328072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).