5-methyl-2-(3-methylpentyl)heptane-1,2-diamine

C14H32N2 — CID 126685854

IUPAC5-methyl-2-(3-methylpentyl)heptane-1,2-diamine
SMILESCCC(C)CCC(N)(CN)CCC(C)CC
InChIInChI=1S/C14H32N2/c1-5-12(3)7-9-14(16,11-15)10-8-13(4)6-2/h12-13H,5-11,15-16H2,1-4H3
InChIKeyULOQAIHCOVBTFH-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.30
Rot. Bonds9

About 5-methyl-2-(3-methylpentyl)heptane-1,2-diamine

5-methyl-2-(3-methylpentyl)heptane-1,2-diamine (PubChem CID 126685854) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 5-methyl-2-(3-methylpentyl)heptane-1,2-diamine.

Molecular Properties

Compound Name5-methyl-2-(3-methylpentyl)heptane-1,2-diamine
PubChem CID126685854
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name5-methyl-2-(3-methylpentyl)heptane-1,2-diamine
SMILESCCC(C)CCC(N)(CN)CCC(C)CC
InChIInChI=1S/C14H32N2/c1-5-12(3)7-9-14(16,11-15)10-8-13(4)6-2/h12-13H,5-11,15-16H2,1-4H3
InChIKeyULOQAIHCOVBTFH-UHFFFAOYSA-N
XLogP3.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylpentyl)heptane-1,2-diamine?
The IUPAC name of 5-methyl-2-(3-methylpentyl)heptane-1,2-diamine (CID 126685854) is 5-methyl-2-(3-methylpentyl)heptane-1,2-diamine.
What is the SMILES notation for 5-methyl-2-(3-methylpentyl)heptane-1,2-diamine?
The canonical SMILES for 5-methyl-2-(3-methylpentyl)heptane-1,2-diamine is CCC(C)CCC(N)(CN)CCC(C)CC.
What is the InChIKey of 5-methyl-2-(3-methylpentyl)heptane-1,2-diamine?
The InChIKey is ULOQAIHCOVBTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-12(3)7-9-14(16,11-15)10-8-13(4)6-2/h12-13H,5-11,15-16H2,1-4H3.
What are the key properties of 5-methyl-2-(3-methylpentyl)heptane-1,2-diamine?
5-methyl-2-(3-methylpentyl)heptane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylpentyl)heptane-1,2-diamine is sourced from PubChem (CID 126685854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).