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

C17H36N2 — CID 79061315

IUPAC2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)C1CCCC(C)C1
InChIInChI=1S/C17H36N2/c1-6-17(7-2,19(8-3)9-4)16(18)15-12-10-11-14(5)13-15/h14-16H,6-13,18H2,1-5H3
InChIKeyXETYGXJZQXZULZ-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.04
Rot. Bonds7

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

2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine (PubChem CID 79061315) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine
PubChem CID79061315
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)C1CCCC(C)C1
InChIInChI=1S/C17H36N2/c1-6-17(7-2,19(8-3)9-4)16(18)15-12-10-11-14(5)13-15/h14-16H,6-13,18H2,1-5H3
InChIKeyXETYGXJZQXZULZ-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine (CID 79061315) is 2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine is CCN(CC)C(CC)(CC)C(N)C1CCCC(C)C1.
What is the InChIKey of 2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine?
The InChIKey is XETYGXJZQXZULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-17(7-2,19(8-3)9-4)16(18)15-12-10-11-14(5)13-15/h14-16H,6-13,18H2,1-5H3.
What are the key properties of 2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine?
2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine is sourced from PubChem (CID 79061315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).