N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine

C17H35N — CID 106327957

IUPACN-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-7-17(6,8-2)18-13-14-9-11-15(12-10-14)16(3,4)5/h14-15,18H,7-13H2,1-6H3
InChIKeyMYAUBXWDDJJLEC-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds5

About N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine

N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine (PubChem CID 106327957) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
PubChem CID106327957
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-7-17(6,8-2)18-13-14-9-11-15(12-10-14)16(3,4)5/h14-15,18H,7-13H2,1-6H3
InChIKeyMYAUBXWDDJJLEC-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-methylcyclohexan-1-amine
CID 15921596
(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
Cyclohexaneethylamine, alpha,alpha-dimethyl-N-propyl-
CID 199973
Cyclohexaneethylamine, N-butyl-alpha,alpha-dimethyl-
CID 199974
2-[2-Cyclohexyl-2-(4,4-dimethylcyclohexyl)ethyl]piperidine
CID 137640227
1,4-Cyclohexanebis(methylamine), N,N'-bis(1,1,3,3-tetramethylbutyl)-, dihydrochloride, (E)-
CID 102037
Rac-(4s,7s)-7-tert-butyl-1-azaspiro[3.5]nonane
CID 65804206
Tert-butyl(2-cyclohexylethyl)amine
CID 11309910
Cyclohexanemethanamine, alpha-methyl-N-octyl-, (R)-
CID 81384579
N-[[4-[(tert-butylamino)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 77557

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine (CID 106327957) is N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine is CCC(C)(CC)NCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine?
The InChIKey is MYAUBXWDDJJLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-7-17(6,8-2)18-13-14-9-11-15(12-10-14)16(3,4)5/h14-15,18H,7-13H2,1-6H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine?
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine is sourced from PubChem (CID 106327957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).