(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol

C16H33NO — CID 114983139

IUPAC(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-12(2)15(11-18)17-10-13-6-8-14(9-7-13)16(3,4)5/h12-15,17-18H,6-11H2,1-5H3/t13?,14?,15-/m1/s1
InChIKeyGPWBUENCRCUWTA-YMAMQOFZSA-N
MW255.45 g/mol
LogP3.45
Rot. Bonds5

About (2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol

(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol (PubChem CID 114983139) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is (2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol
PubChem CID114983139
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-12(2)15(11-18)17-10-13-6-8-14(9-7-13)16(3,4)5/h12-15,17-18H,6-11H2,1-5H3/t13?,14?,15-/m1/s1
InChIKeyGPWBUENCRCUWTA-YMAMQOFZSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine
CID 104575103
(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
CID 104575229
(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
CID 104575232
3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol
CID 115137561
(2S)-1-(2,2-dimethylpropylideneamino)-3-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]butan-2-amine
CID 137452305
2-(cyclopropylmethylamino)propan-1-ol
CID 43560365
N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol
CID 115137861
2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107695
2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109582
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
N-[(4-tert-butylcyclohexyl)methyl]pent-1-yn-3-amine
CID 114160546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol (CID 114983139) is (2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of (2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol?
The InChIKey is GPWBUENCRCUWTA-YMAMQOFZSA-N. The full InChI is InChI=1S/C16H33NO/c1-12(2)15(11-18)17-10-13-6-8-14(9-7-13)16(3,4)5/h12-15,17-18H,6-11H2,1-5H3/t13?,14?,15-/m1/s1.
What are the key properties of (2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol?
(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 114983139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).