5-methyltridecane-2,12-diamine

C14H32N2 — CID 18720546

IUPAC5-methyltridecane-2,12-diamine
SMILESCC(N)CCCCCCC(C)CCC(C)N
InChIInChI=1S/C14H32N2/c1-12(10-11-14(3)16)8-6-4-5-7-9-13(2)15/h12-14H,4-11,15-16H2,1-3H3
InChIKeySTVXFQNIGKFNIK-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.44
Rot. Bonds10

About 5-methyltridecane-2,12-diamine

5-methyltridecane-2,12-diamine (PubChem CID 18720546) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 5-methyltridecane-2,12-diamine.

Molecular Properties

Compound Name5-methyltridecane-2,12-diamine
PubChem CID18720546
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name5-methyltridecane-2,12-diamine
SMILESCC(N)CCCCCCC(C)CCC(C)N
InChIInChI=1S/C14H32N2/c1-12(10-11-14(3)16)8-6-4-5-7-9-13(2)15/h12-14H,4-11,15-16H2,1-3H3
InChIKeySTVXFQNIGKFNIK-UHFFFAOYSA-N
XLogP3.44
TPSA52.04 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 ≤ 53.44
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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Related Compounds

docosane-2,21-diamine
CID 150079956
6-methylnonadecan-2-amine
CID 54497673
6-methylnonan-2-amine
CID 64502929
(5R)-hexane-2,5-diamine
CID 144618459
(2S)-nonadecan-2-amine
CID 94864909
(2S)-tetradecan-2-amine
CID 25021238
(8S)-nonane-1,8-diamine
CID 87205838
(2S)-tridecan-2-amine
CID 24884182
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
pentadecane-2,6,10,14-tetramine
CID 164971565
dodecan-2-amine;hydrochloride
CID 86195878

Frequently Asked Questions

What is the IUPAC name of 5-methyltridecane-2,12-diamine?
The IUPAC name of 5-methyltridecane-2,12-diamine (CID 18720546) is 5-methyltridecane-2,12-diamine.
What is the SMILES notation for 5-methyltridecane-2,12-diamine?
The canonical SMILES for 5-methyltridecane-2,12-diamine is CC(N)CCCCCCC(C)CCC(C)N.
What is the InChIKey of 5-methyltridecane-2,12-diamine?
The InChIKey is STVXFQNIGKFNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-12(10-11-14(3)16)8-6-4-5-7-9-13(2)15/h12-14H,4-11,15-16H2,1-3H3.
What are the key properties of 5-methyltridecane-2,12-diamine?
5-methyltridecane-2,12-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyltridecane-2,12-diamine is sourced from PubChem (CID 18720546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).