2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine

C16H34N2 — CID 55072677

IUPAC2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)C1CCCCC1C
InChIInChI=1S/C16H34N2/c1-12(2)16(11-17-13(3)4)18(6)15-10-8-7-9-14(15)5/h12-17H,7-11H2,1-6H3
InChIKeyCMHLLBTUMFFJEC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds6

About 2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine

2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 55072677) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID55072677
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)C1CCCCC1C
InChIInChI=1S/C16H34N2/c1-12(2)16(11-17-13(3)4)18(6)15-10-8-7-9-14(15)5/h12-17H,7-11H2,1-6H3
InChIKeyCMHLLBTUMFFJEC-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine (CID 55072677) is 2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine is CC(C)NCC(C(C)C)N(C)C1CCCCC1C.
What is the InChIKey of 2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is CMHLLBTUMFFJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(2)16(11-17-13(3)4)18(6)15-10-8-7-9-14(15)5/h12-17H,7-11H2,1-6H3.
What are the key properties of 2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine?
2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 55072677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).