2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine

C14H30N2 — CID 43205442

IUPAC2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
SMILESCC(C)C(CNC1CCCCC1C)N(C)C
InChIInChI=1S/C14H30N2/c1-11(2)14(16(4)5)10-15-13-9-7-6-8-12(13)3/h11-15H,6-10H2,1-5H3
InChIKeyLOBVAVABUDODMX-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds5

About 2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine (PubChem CID 43205442) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
PubChem CID43205442
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
SMILESCC(C)C(CNC1CCCCC1C)N(C)C
InChIInChI=1S/C14H30N2/c1-11(2)14(16(4)5)10-15-13-9-7-6-8-12(13)3/h11-15H,6-10H2,1-5H3
InChIKeyLOBVAVABUDODMX-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205547
2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine
CID 79540120
N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441063
2-N,2-N,3-trimethyl-1-N-(4-methylcyclohexyl)butane-1,2-diamine
CID 43205434
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine
CID 115688826
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
CID 93035087
N-(3-methoxy-2-methylpropyl)-2-methylcyclopentan-1-amine
CID 65045798
2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile
CID 172761709
1-N-(2,2-dimethylcyclopentyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 79864207
3-[(2-methylcycloheptyl)amino]propane-1,2-diol
CID 77073747

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine (CID 43205442) is 2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine is CC(C)C(CNC1CCCCC1C)N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine?
The InChIKey is LOBVAVABUDODMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)14(16(4)5)10-15-13-9-7-6-8-12(13)3/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine is sourced from PubChem (CID 43205442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).