3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol

C17H32N2O — CID 64798775

IUPAC3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
SMILESCN(CC(CO)(NC1CC1)C1CC1)C1CCCCCC1
InChIInChI=1S/C17H32N2O/c1-19(16-6-4-2-3-5-7-16)12-17(13-20,14-8-9-14)18-15-10-11-15/h14-16,18,20H,2-13H2,1H3
InChIKeyKBKULSYLRZCETN-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.53
Rot. Bonds7

About 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol

3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol (PubChem CID 64798775) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
PubChem CID64798775
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
SMILESCN(CC(CO)(NC1CC1)C1CC1)C1CCCCCC1
InChIInChI=1S/C17H32N2O/c1-19(16-6-4-2-3-5-7-16)12-17(13-20,14-8-9-14)18-15-10-11-15/h14-16,18,20H,2-13H2,1H3
InChIKeyKBKULSYLRZCETN-UHFFFAOYSA-N
XLogP2.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol
CID 81065079
2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol
CID 64796314
2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol
CID 64796552
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol
CID 64798076
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propyl)amino]propan-1-ol
CID 64796814
2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 114287449
2-cyclopropyl-3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
CID 64825822
2-cyclopropyl-2-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-1-ol
CID 64826221
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64790212
3-cyclopentylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64805508
2-cyclopropyl-2-(cyclopropylamino)-3-piperidin-1-ylpropan-1-ol
CID 64790851
3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798444

Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The IUPAC name of 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol (CID 64798775) is 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol is CN(CC(CO)(NC1CC1)C1CC1)C1CCCCCC1.
What is the InChIKey of 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The InChIKey is KBKULSYLRZCETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-19(16-6-4-2-3-5-7-16)12-17(13-20,14-8-9-14)18-15-10-11-15/h14-16,18,20H,2-13H2,1H3.
What are the key properties of 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 64798775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).