3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol

C15H28N2O — CID 64798444

IUPAC3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
SMILESOCC(CN1CCCCCC1)(NC1CC1)C1CC1
InChIInChI=1S/C15H28N2O/c18-12-15(13-5-6-13,16-14-7-8-14)11-17-9-3-1-2-4-10-17/h13-14,16,18H,1-12H2
InChIKeyJFJDYQABZBOFDV-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.76
Rot. Bonds6

About 3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol

3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol (PubChem CID 64798444) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
PubChem CID64798444
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
SMILESOCC(CN1CCCCCC1)(NC1CC1)C1CC1
InChIInChI=1S/C15H28N2O/c18-12-15(13-5-6-13,16-14-7-8-14)11-17-9-3-1-2-4-10-17/h13-14,16,18H,1-12H2
InChIKeyJFJDYQABZBOFDV-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-piperidin-1-ylpropan-1-ol
CID 64790851
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 64797554
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 115562636
2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol
CID 64827430
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol
CID 103540761
2-(cyclopropylamino)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64795608
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
CID 79934787
2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol
CID 64809169
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798775
3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64805508
2-cyclopropyl-2-(cyclopropylamino)-3-propan-2-yloxypropan-1-ol
CID 64804667
2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol
CID 64798204

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The IUPAC name of 3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol (CID 64798444) is 3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol is OCC(CN1CCCCCC1)(NC1CC1)C1CC1.
What is the InChIKey of 3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The InChIKey is JFJDYQABZBOFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-12-15(13-5-6-13,16-14-7-8-14)11-17-9-3-1-2-4-10-17/h13-14,16,18H,1-12H2.
What are the key properties of 3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 64798444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).