[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol

C15H30N2O — CID 79656554

IUPAC[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
SMILESCC(C)C1CCCN(C2CCC(N)(CO)C2)CC1
InChIInChI=1S/C15H30N2O/c1-12(2)13-4-3-8-17(9-6-13)14-5-7-15(16,10-14)11-18/h12-14,18H,3-11,16H2,1-2H3
InChIKeyAVKMLRVIXFXRAZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.99
Rot. Bonds3

About [1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol

[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol (PubChem CID 79656554) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
PubChem CID79656554
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
SMILESCC(C)C1CCCN(C2CCC(N)(CO)C2)CC1
InChIInChI=1S/C15H30N2O/c1-12(2)13-4-3-8-17(9-6-13)14-5-7-15(16,10-14)11-18/h12-14,18H,3-11,16H2,1-2H3
InChIKeyAVKMLRVIXFXRAZ-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-(4-ethylpiperidin-1-yl)cyclopentyl]methanol
CID 79655902
[1-amino-3-(4-ethylpiperazin-1-yl)cyclopentyl]methanol
CID 79656436
1-amino-3-(4-propan-2-ylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642332
[1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol
CID 79656230
[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol
CID 79634360
1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide
CID 79645390
[1-amino-3-(3-ethylpiperidin-1-yl)cyclohexyl]methanol
CID 79640939
1-(propan-2-ylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638672
[1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentyl]methanol
CID 79656844
3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine
CID 80561615
[1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol
CID 79655931
[1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79634523

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol?
The IUPAC name of [1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol (CID 79656554) is [1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol is CC(C)C1CCCN(C2CCC(N)(CO)C2)CC1.
What is the InChIKey of [1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol?
The InChIKey is AVKMLRVIXFXRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)13-4-3-8-17(9-6-13)14-5-7-15(16,10-14)11-18/h12-14,18H,3-11,16H2,1-2H3.
What are the key properties of [1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol?
[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol has a molecular weight of 254.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol is sourced from PubChem (CID 79656554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).