N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine

C19H39N — CID 81030393

IUPACN-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
SMILESCCC(C)CC1CC(C(C)(C)C)CCC1CNC(C)C
InChIInChI=1S/C19H39N/c1-8-15(4)11-17-12-18(19(5,6)7)10-9-16(17)13-20-14(2)3/h14-18,20H,8-13H2,1-7H3
InChIKeyVFYVALDWTVKFTA-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.50
Rot. Bonds6

About N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine

N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81030393) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81030393
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
SMILESCCC(C)CC1CC(C(C)(C)C)CCC1CNC(C)C
InChIInChI=1S/C19H39N/c1-8-15(4)11-17-12-18(19(5,6)7)10-9-16(17)13-20-14(2)3/h14-18,20H,8-13H2,1-7H3
InChIKeyVFYVALDWTVKFTA-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine
CID 81021865
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81021871
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
CID 81030178
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 81022950
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine
CID 104575931
2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81031122
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine
CID 81027427
N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine
CID 81022007
N-[[2-(2-methylbutyl)cyclohexyl]methyl]ethanamine
CID 81028834
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022443

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine (CID 81030393) is N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine is CCC(C)CC1CC(C(C)(C)C)CCC1CNC(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is VFYVALDWTVKFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-8-15(4)11-17-12-18(19(5,6)7)10-9-16(17)13-20-14(2)3/h14-18,20H,8-13H2,1-7H3.
What are the key properties of N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine?
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 281.53 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81030393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).