2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine

C18H38N2 — CID 63404415

IUPAC2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine
SMILESCC(N(C)C1CC(C(C)(C)C)CCC1CN)C(C)(C)C
InChIInChI=1S/C18H38N2/c1-13(17(2,3)4)20(8)16-11-15(18(5,6)7)10-9-14(16)12-19/h13-16H,9-12,19H2,1-8H3
InChIKeyZRLVPYNFWVMHFA-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.14
Rot. Bonds3

About 2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine

2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine (PubChem CID 63404415) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine
PubChem CID63404415
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine
SMILESCC(N(C)C1CC(C(C)(C)C)CCC1CN)C(C)(C)C
InChIInChI=1S/C18H38N2/c1-13(17(2,3)4)20(8)16-11-15(18(5,6)7)10-9-14(16)12-19/h13-16H,9-12,19H2,1-8H3
InChIKeyZRLVPYNFWVMHFA-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-5-tert-butyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293395
2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 63404054
2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide
CID 43588518
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide
CID 43575620
2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 43293746
[4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine
CID 107767069
2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433986
2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 61421823
[4-tert-butyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine
CID 43529830

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine (CID 63404415) is 2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine is CC(N(C)C1CC(C(C)(C)C)CCC1CN)C(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine?
The InChIKey is ZRLVPYNFWVMHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-13(17(2,3)4)20(8)16-11-15(18(5,6)7)10-9-14(16)12-19/h13-16H,9-12,19H2,1-8H3.
What are the key properties of 2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine?
2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63404415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).