2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine

C17H36N2 — CID 63470173

IUPAC2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
SMILESCCC(C)(C)C1CCC(N)C(N(C)CC(C)(C)C)C1
InChIInChI=1S/C17H36N2/c1-8-17(5,6)13-9-10-14(18)15(11-13)19(7)12-16(2,3)4/h13-15H,8-12,18H2,1-7H3
InChIKeyWSTDSZGJPDKGDI-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.90
Rot. Bonds4

About 2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine

2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine (PubChem CID 63470173) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
PubChem CID63470173
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
SMILESCCC(C)(C)C1CCC(N)C(N(C)CC(C)(C)C)C1
InChIInChI=1S/C17H36N2/c1-8-17(5,6)13-9-10-14(18)15(11-13)19(7)12-16(2,3)4/h13-15H,8-12,18H2,1-7H3
InChIKeyWSTDSZGJPDKGDI-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275857
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(2-propan-2-yloxyethyl)cyclohexane-1,2-diamine
CID 81055494
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444
2-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 54883914
4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine
CID 64628286
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293648
trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 59492154
2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293755
2-N-methyl-4-(2-methylbutan-2-yl)-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63467170
2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 43293746
4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
CID 63712484
2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63073876

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine (CID 63470173) is 2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine is CCC(C)(C)C1CCC(N)C(N(C)CC(C)(C)C)C1.
What is the InChIKey of 2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
The InChIKey is WSTDSZGJPDKGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-17(5,6)13-9-10-14(18)15(11-13)19(7)12-16(2,3)4/h13-15H,8-12,18H2,1-7H3.
What are the key properties of 2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 63470173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).