3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine

C15H32N2 — CID 79814334

IUPAC3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CCCC(C(C)C)CC1
InChIInChI=1S/C15H32N2/c1-5-15(16,6-2)12-17-10-7-8-14(9-11-17)13(3)4/h13-14H,5-12,16H2,1-4H3
InChIKeyBQJGWGAEQYLWLX-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.26
Rot. Bonds5

About 3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine

3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine (PubChem CID 79814334) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine
PubChem CID79814334
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CCCC(C(C)C)CC1
InChIInChI=1S/C15H32N2/c1-5-15(16,6-2)12-17-10-7-8-14(9-11-17)13(3)4/h13-14H,5-12,16H2,1-4H3
InChIKeyBQJGWGAEQYLWLX-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine
CID 79328072
2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide
CID 79631643
3-(1,4-thiazepan-4-ylmethyl)pentan-3-amine
CID 79813676
1-[2-(bromomethyl)butyl]-4-propan-2-ylazepane
CID 64997806
3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine
CID 79814472
1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine
CID 137409417
1-(2-bromo-3,3,3-trifluoropropyl)-4-propan-2-ylazepane
CID 64759361
3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine
CID 79812652
2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 174183157
3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine
CID 79814119
3-[(3,3-dimethylpiperidin-1-yl)methyl]pentan-3-amine
CID 79813270
1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
CID 176983543

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine?
The IUPAC name of 3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine (CID 79814334) is 3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine is CCC(N)(CC)CN1CCCC(C(C)C)CC1.
What is the InChIKey of 3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine?
The InChIKey is BQJGWGAEQYLWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-15(16,6-2)12-17-10-7-8-14(9-11-17)13(3)4/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine?
3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine has a molecular weight of 240.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine is sourced from PubChem (CID 79814334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).