2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol

C16H32N2O — CID 64791236

IUPAC2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN1CCCCCC1C)C1CC1
InChIInChI=1S/C16H32N2O/c1-13(2)17-16(12-19,15-8-9-15)11-18-10-6-4-5-7-14(18)3/h13-15,17,19H,4-12H2,1-3H3
InChIKeyKYMJLULACRGJIF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds6

About 2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64791236) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64791236
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN1CCCCCC1C)C1CC1
InChIInChI=1S/C16H32N2O/c1-13(2)17-16(12-19,15-8-9-15)11-18-10-6-4-5-7-14(18)3/h13-15,17,19H,4-12H2,1-3H3
InChIKeyKYMJLULACRGJIF-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol
CID 102887325
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114540865
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64826996
methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63907850
2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol
CID 64798204
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64798783
2-cyclopropyl-3-(3-ethylmorpholin-4-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64798573
2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918
3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64790980
2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol
CID 114087996
2-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 64795621
2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64797230

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol (CID 64791236) is 2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)(CN1CCCCCC1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is KYMJLULACRGJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)17-16(12-19,15-8-9-15)11-18-10-6-4-5-7-14(18)3/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64791236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).