2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol

C15H32N2O — CID 64827314

IUPAC2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC1CCCC(N(C)CC(C)(CO)NC(C)C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)16-15(4,11-18)10-17(5)14-8-6-7-13(3)9-14/h12-14,16,18H,6-11H2,1-5H3
InChIKeyXFQXDDNXUYOMDH-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds6

About 2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol

2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64827314) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64827314
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC1CCCC(N(C)CC(C)(CO)NC(C)C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)16-15(4,11-18)10-17(5)14-8-6-7-13(3)9-14/h12-14,16,18H,6-11H2,1-5H3
InChIKeyXFQXDDNXUYOMDH-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-methyl-5-[methyl-(3-methylcyclohexyl)amino]pentan-1-ol
CID 64827706
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64798308
2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 115882663
N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 62258323
3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827129
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64798501
2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64798699
3-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 60969986
4-[cyclohexyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798610
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825168
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol (CID 64827314) is 2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol is CC1CCCC(N(C)CC(C)(CO)NC(C)C)C1.
What is the InChIKey of 2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is XFQXDDNXUYOMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)16-15(4,11-18)10-17(5)14-8-6-7-13(3)9-14/h12-14,16,18H,6-11H2,1-5H3.
What are the key properties of 2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol?
2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64827314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).