2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol

C13H26N2O — CID 64796314

IUPAC2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol
SMILESCN(CC(N)(CO)C1CC1)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-15(12-5-3-2-4-6-12)9-13(14,10-16)11-7-8-11/h11-12,16H,2-10,14H2,1H3
InChIKeyVBDJXNHQIDWTSU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.35
Rot. Bonds5

About 2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol

2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol (PubChem CID 64796314) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol
PubChem CID64796314
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol
SMILESCN(CC(N)(CO)C1CC1)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-15(12-5-3-2-4-6-12)9-13(14,10-16)11-7-8-11/h11-12,16H,2-10,14H2,1H3
InChIKeyVBDJXNHQIDWTSU-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol?
The IUPAC name of 2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol (CID 64796314) is 2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol?
The canonical SMILES for 2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol is CN(CC(N)(CO)C1CC1)C1CCCCC1.
What is the InChIKey of 2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol?
The InChIKey is VBDJXNHQIDWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(12-5-3-2-4-6-12)9-13(14,10-16)11-7-8-11/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol?
2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 64796314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).