N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine

C19H39N — CID 63508058

IUPACN-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
SMILESCCC(C)CC1(CNC(C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39N/c1-8-16(4)13-19(14-20-15(2)3)11-9-17(10-12-19)18(5,6)7/h15-17,20H,8-14H2,1-7H3
InChIKeyKDAWFVKLQDEUGH-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.64
Rot. Bonds6

About N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine

N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 63508058) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
PubChem CID63508058
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
SMILESCCC(C)CC1(CNC(C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39N/c1-8-16(4)13-19(14-20-15(2)3)11-9-17(10-12-19)18(5,6)7/h15-17,20H,8-14H2,1-7H3
InChIKeyKDAWFVKLQDEUGH-UHFFFAOYSA-N
XLogP5.64
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 ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine
CID 65194330
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine
CID 63508059
N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 115979418
1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine
CID 63507882
[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine
CID 82930941
N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine
CID 63475880
N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
CID 55197381
N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 63523282
1-[4-tert-butyl-1-(hydroxymethyl)cyclohexyl]propan-2-ol
CID 13229863
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 62108397
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63508585

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine (CID 63508058) is N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine is CCC(C)CC1(CNC(C)C)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is KDAWFVKLQDEUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-8-16(4)13-19(14-20-15(2)3)11-9-17(10-12-19)18(5,6)7/h15-17,20H,8-14H2,1-7H3.
What are the key properties of N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine?
N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 281.53 g/mol, XLogP of 5.64, 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-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63508058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).