3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol

C14H29NO — CID 115881231

IUPAC3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol
SMILESCC1CCCC(CNCC(O)C(C)(C)C)C1
InChIInChI=1S/C14H29NO/c1-11-6-5-7-12(8-11)9-15-10-13(16)14(2,3)4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyNBOKJYPVZPNDGM-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.81
Rot. Bonds4

About 3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol

3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol (PubChem CID 115881231) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol
PubChem CID115881231
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol
SMILESCC1CCCC(CNCC(O)C(C)(C)C)C1
InChIInChI=1S/C14H29NO/c1-11-6-5-7-12(8-11)9-15-10-13(16)14(2,3)4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyNBOKJYPVZPNDGM-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(3-methylcyclohexyl)methylamino]propan-2-ol
CID 103884165
3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol
CID 115881296
1-(3-methylcyclohexyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103883987
(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
3-methyl-1-(3-methylcyclohexyl)butan-2-ol
CID 79422374
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
CID 115887516
1-[(3-methylcyclopentyl)methylamino]butan-2-ol
CID 107412667
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660
methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
CID 102671236
3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 115881256
tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate
CID 107246654

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol (CID 115881231) is 3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol is CC1CCCC(CNCC(O)C(C)(C)C)C1.
What is the InChIKey of 3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol?
The InChIKey is NBOKJYPVZPNDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11-6-5-7-12(8-11)9-15-10-13(16)14(2,3)4/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol?
3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol is sourced from PubChem (CID 115881231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).