3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

C13H25NO — CID 165490941

IUPAC3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)C1CC1
InChIInChI=1S/C13H25NO/c1-9(2)12-7-6-11(15)8-13(12)14(3)10-4-5-10/h9-13,15H,4-8H2,1-3H3
InChIKeyMADLKIYHJYEUIE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.27
Rot. Bonds3

About 3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165490941) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID165490941
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)C1CC1
InChIInChI=1S/C13H25NO/c1-9(2)12-7-6-11(15)8-13(12)14(3)10-4-5-10/h9-13,15H,4-8H2,1-3H3
InChIKeyMADLKIYHJYEUIE-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(propyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490869
4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121112
3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165496236
(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165496084
3-[cyclopentyl(methyl)amino]-4-methylcyclohexan-1-ol
CID 165497269
3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490881
(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol
CID 176720342
N-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)azetidin-3-amine
CID 66187048
4-[cyclobutyl(methyl)amino]cyclohexan-1-ol
CID 114762700
4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
CID 114762511
trans-(1R,2R)-2-[cyclopropyl(methyl)amino]cyclohexan-1-ol
CID 102731882

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 165490941) is 3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1N(C)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is MADLKIYHJYEUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)12-7-6-11(15)8-13(12)14(3)10-4-5-10/h9-13,15H,4-8H2,1-3H3.
What are the key properties of 3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165490941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).