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

C16H31NO — CID 165496236

IUPAC3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)C1(C)CCCC1
InChIInChI=1S/C16H31NO/c1-12(2)14-8-7-13(18)11-15(14)17(4)16(3)9-5-6-10-16/h12-15,18H,5-11H2,1-4H3
InChIKeyRTXPHFFFRPSOPK-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds3

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

3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165496236) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID165496236
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)C1(C)CCCC1
InChIInChI=1S/C16H31NO/c1-12(2)14-8-7-13(18)11-15(14)17(4)16(3)9-5-6-10-16/h12-15,18H,5-11H2,1-4H3
InChIKeyRTXPHFFFRPSOPK-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490941
(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-[cyclopropyl(propyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490869
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
3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 165496153
4-methyl-3-[methyl(2-methylpropyl)amino]cyclohexan-1-ol
CID 165490848
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 165491160
3-[cyclopentyl(methyl)amino]-4-methylcyclohexan-1-ol
CID 165497269
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 165496236) is 3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1N(C)C1(C)CCCC1.
What is the InChIKey of 3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is RTXPHFFFRPSOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)14-8-7-13(18)11-15(14)17(4)16(3)9-5-6-10-16/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol?
3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylcyclopentyl)amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165496236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).