3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine

C14H32N2 — CID 170384964

IUPAC3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine
SMILESCCCNCC(NCCC)C(C)CC(C)C
InChIInChI=1S/C14H32N2/c1-6-8-15-11-14(16-9-7-2)13(5)10-12(3)4/h12-16H,6-11H2,1-5H3
InChIKeyXBTAICOCFUJREV-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.04
Rot. Bonds10

About 3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine

3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine (PubChem CID 170384964) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine.

Molecular Properties

Compound Name3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine
PubChem CID170384964
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine
SMILESCCCNCC(NCCC)C(C)CC(C)C
InChIInChI=1S/C14H32N2/c1-6-8-15-11-14(16-9-7-2)13(5)10-12(3)4/h12-16H,6-11H2,1-5H3
InChIKeyXBTAICOCFUJREV-UHFFFAOYSA-N
XLogP3.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine?
The IUPAC name of 3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine (CID 170384964) is 3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine.
What is the SMILES notation for 3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine?
The canonical SMILES for 3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine is CCCNCC(NCCC)C(C)CC(C)C.
What is the InChIKey of 3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine?
The InChIKey is XBTAICOCFUJREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-8-15-11-14(16-9-7-2)13(5)10-12(3)4/h12-16H,6-11H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine?
3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine is sourced from PubChem (CID 170384964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).