3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine

C15H32N2 — CID 61437065

IUPAC3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine
SMILESCCCC(N)C(CC)N(C)C1CCC(C)CC1
InChIInChI=1S/C15H32N2/c1-5-7-14(16)15(6-2)17(4)13-10-8-12(3)9-11-13/h12-15H,5-11,16H2,1-4H3
InChIKeyTYQYEPZGGNXTOZ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds6

About 3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine

3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine (PubChem CID 61437065) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine
PubChem CID61437065
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine
SMILESCCCC(N)C(CC)N(C)C1CCC(C)CC1
InChIInChI=1S/C15H32N2/c1-5-7-14(16)15(6-2)17(4)13-10-8-12(3)9-11-13/h12-15H,5-11,16H2,1-4H3
InChIKeyTYQYEPZGGNXTOZ-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine?
The IUPAC name of 3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine (CID 61437065) is 3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine?
The canonical SMILES for 3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine is CCCC(N)C(CC)N(C)C1CCC(C)CC1.
What is the InChIKey of 3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine?
The InChIKey is TYQYEPZGGNXTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-7-14(16)15(6-2)17(4)13-10-8-12(3)9-11-13/h12-15H,5-11,16H2,1-4H3.
What are the key properties of 3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine?
3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine is sourced from PubChem (CID 61437065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).