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

C16H33NO — CID 104575141

IUPAC1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-6-16(5,18)12-17-11-13-7-9-14(10-8-13)15(2,3)4/h13-14,17-18H,6-12H2,1-5H3
InChIKeyPOHKVAZQXSYSIV-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.59
Rot. Bonds5

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

1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol (PubChem CID 104575141) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol
PubChem CID104575141
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-6-16(5,18)12-17-11-13-7-9-14(10-8-13)15(2,3)4/h13-14,17-18H,6-12H2,1-5H3
InChIKeyPOHKVAZQXSYSIV-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
2-methyl-1-(thian-4-ylmethylamino)butan-2-ol
CID 114493697
3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040928
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104574795
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
CID 106327957
N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289340
3-(cyclopentylmethylamino)-2-methylpropane-1,2-diol
CID 66171290
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497
N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
CID 114615781
1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol (CID 104575141) is 1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol?
The InChIKey is POHKVAZQXSYSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-16(5,18)12-17-11-13-7-9-14(10-8-13)15(2,3)4/h13-14,17-18H,6-12H2,1-5H3.
What are the key properties of 1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol?
1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol has a molecular weight of 255.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 104575141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).