2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine

C18H38N2 — CID 43293746

IUPAC2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCCN(CC(C)C)C1CC(C(C)(C)CC)CCC1CN
InChIInChI=1S/C18H38N2/c1-7-18(5,6)16-10-9-15(12-19)17(11-16)20(8-2)13-14(3)4/h14-17H,7-13,19H2,1-6H3
InChIKeyBFYCJXHARPKEDM-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.14
Rot. Bonds7

About 2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine

2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 43293746) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID43293746
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCCN(CC(C)C)C1CC(C(C)(C)CC)CCC1CN
InChIInChI=1S/C18H38N2/c1-7-18(5,6)16-10-9-15(12-19)17(11-16)20(8-2)13-14(3)4/h14-17H,7-13,19H2,1-6H3
InChIKeyBFYCJXHARPKEDM-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
CID 63468083
2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293755
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293648
2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 63404054
2-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 54883914
2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 82939923
[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine
CID 81329173
2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide
CID 43588518
2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine
CID 63404415
[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43530062
2-(aminomethyl)-5-tert-butyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293395
3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
CID 165497912

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine (CID 43293746) is 2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine is CCN(CC(C)C)C1CC(C(C)(C)CC)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is BFYCJXHARPKEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-18(5,6)16-10-9-15(12-19)17(11-16)20(8-2)13-14(3)4/h14-17H,7-13,19H2,1-6H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine?
2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 43293746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).