4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol

C14H30N2O — CID 113376129

IUPAC4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
SMILESCC(O)CC(C)NC(C)CC1CCCCCN1
InChIInChI=1S/C14H30N2O/c1-11(9-13(3)17)16-12(2)10-14-7-5-4-6-8-15-14/h11-17H,4-10H2,1-3H3
InChIKeyGRXBOFOXLFVHJM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.05
Rot. Bonds6

About 4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol

4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol (PubChem CID 113376129) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol.

Molecular Properties

Compound Name4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
PubChem CID113376129
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
SMILESCC(O)CC(C)NC(C)CC1CCCCCN1
InChIInChI=1S/C14H30N2O/c1-11(9-13(3)17)16-12(2)10-14-7-5-4-6-8-15-14/h11-17H,4-10H2,1-3H3
InChIKeyGRXBOFOXLFVHJM-UHFFFAOYSA-N
XLogP2.05
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79560887
N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine
CID 113477132
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine
CID 79559883
N-[1-(azepan-2-yl)propan-2-yl]-1-cyclohexylpropan-1-amine
CID 79560812
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
3-methyl-N-(1-piperidin-2-ylpropan-2-yl)pentan-2-amine
CID 79539602
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
CID 79540590
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81386567
methyl 2-[1-(azepan-2-yl)propan-2-ylamino]-3-methylpentanoate
CID 79560878
1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine
CID 82937432

Frequently Asked Questions

What is the IUPAC name of 4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol?
The IUPAC name of 4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol (CID 113376129) is 4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol.
What is the SMILES notation for 4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol?
The canonical SMILES for 4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol is CC(O)CC(C)NC(C)CC1CCCCCN1.
What is the InChIKey of 4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol?
The InChIKey is GRXBOFOXLFVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(9-13(3)17)16-12(2)10-14-7-5-4-6-8-15-14/h11-17H,4-10H2,1-3H3.
What are the key properties of 4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol?
4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol is sourced from PubChem (CID 113376129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).