2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine

C18H38N2 — CID 43295671

IUPAC2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
SMILESCCC(C)CN(C)C1CCCCCCCCCCC1N
InChIInChI=1S/C18H38N2/c1-4-16(2)15-20(3)18-14-12-10-8-6-5-7-9-11-13-17(18)19/h16-18H,4-15,19H2,1-3H3
InChIKeyARZPBVJGJRQBBM-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.57
Rot. Bonds4

About 2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine

2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine (PubChem CID 43295671) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
PubChem CID43295671
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
SMILESCCC(C)CN(C)C1CCCCCCCCCCC1N
InChIInChI=1S/C18H38N2/c1-4-16(2)15-20(3)18-14-12-10-8-6-5-7-9-11-13-17(18)19/h16-18H,4-15,19H2,1-3H3
InChIKeyARZPBVJGJRQBBM-UHFFFAOYSA-N
XLogP4.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
CID 79477922
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 43295431
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
2-[methyl(2-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 63067917
2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine
CID 81056474
2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63067749
2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine
CID 43570969
2-N-(2-methoxyethyl)-2-N-methylcyclooctane-1,2-diamine
CID 61427471
2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine
CID 43273695
2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 43295782
2-N-butan-2-yl-2-N-ethylcyclohexane-1,2-diamine
CID 43274468
1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine (CID 43295671) is 2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine is CCC(C)CN(C)C1CCCCCCCCCCC1N.
What is the InChIKey of 2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine?
The InChIKey is ARZPBVJGJRQBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-4-16(2)15-20(3)18-14-12-10-8-6-5-7-9-11-13-17(18)19/h16-18H,4-15,19H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine?
2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine is sourced from PubChem (CID 43295671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).