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

C15H32N2 — CID 66453647

IUPAC1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)C1CCCCC1C
InChIInChI=1S/C15H32N2/c1-12-9-7-8-10-14(12)17(6)11-15(3,4)13(2)16-5/h12-14,16H,7-11H2,1-6H3
InChIKeyOTFJJPWZEWMDLV-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.13
Rot. Bonds5

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

1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine (PubChem CID 66453647) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine
PubChem CID66453647
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)C1CCCCC1C
InChIInChI=1S/C15H32N2/c1-12-9-7-8-10-14(12)17(6)11-15(3,4)13(2)16-5/h12-14,16H,7-11H2,1-6H3
InChIKeyOTFJJPWZEWMDLV-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine (CID 66453647) is 1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine is CNC(C)C(C)(C)CN(C)C1CCCCC1C.
What is the InChIKey of 1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine?
The InChIKey is OTFJJPWZEWMDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12-9-7-8-10-14(12)17(6)11-15(3,4)13(2)16-5/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine?
1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine has a molecular weight of 240.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine is sourced from PubChem (CID 66453647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).