3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol

C16H31NO — CID 113428497

IUPAC3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
SMILESCC(C)(C)C1CCC(CNCC2CC(O)C2)CC1
InChIInChI=1S/C16H31NO/c1-16(2,3)14-6-4-12(5-7-14)10-17-11-13-8-15(18)9-13/h12-15,17-18H,4-11H2,1-3H3
InChIKeyWQKVUJLSIHZLNN-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.20
Rot. Bonds4

About 3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol

3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 113428497) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
PubChem CID113428497
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
SMILESCC(C)(C)C1CCC(CNCC2CC(O)C2)CC1
InChIInChI=1S/C16H31NO/c1-16(2,3)14-6-4-12(5-7-14)10-17-11-13-8-15(18)9-13/h12-15,17-18H,4-11H2,1-3H3
InChIKeyWQKVUJLSIHZLNN-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
CID 114615781
1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol
CID 104575141
1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104574795
3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629186
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
CID 106327957
3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040928
N-[(4-tert-butylcyclohexyl)methyl]-3-methylsulfanylpropan-1-amine
CID 104575105
N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289340
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol (CID 113428497) is 3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol is CC(C)(C)C1CCC(CNCC2CC(O)C2)CC1.
What is the InChIKey of 3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is WQKVUJLSIHZLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-16(2,3)14-6-4-12(5-7-14)10-17-11-13-8-15(18)9-13/h12-15,17-18H,4-11H2,1-3H3.
What are the key properties of 3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol?
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 113428497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).