2-methyldecane-1,1,10-triamine

C11H27N3 — CID 175230718

IUPAC2-methyldecane-1,1,10-triamine
SMILESCC(CCCCCCCCN)C(N)N
InChIInChI=1S/C11H27N3/c1-10(11(13)14)8-6-4-2-3-5-7-9-12/h10-11H,2-9,12-14H2,1H3
InChIKeyCNLIKGOPVSRISP-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.56
Rot. Bonds9

About 2-methyldecane-1,1,10-triamine

2-methyldecane-1,1,10-triamine (PubChem CID 175230718) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 2-methyldecane-1,1,10-triamine.

Molecular Properties

Compound Name2-methyldecane-1,1,10-triamine
PubChem CID175230718
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name2-methyldecane-1,1,10-triamine
SMILESCC(CCCCCCCCN)C(N)N
InChIInChI=1S/C11H27N3/c1-10(11(13)14)8-6-4-2-3-5-7-9-12/h10-11H,2-9,12-14H2,1H3
InChIKeyCNLIKGOPVSRISP-UHFFFAOYSA-N
XLogP1.56
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyldecane-1,10-diamine
CID 118234620
pentacosane-1,13,25-triamine
CID 174653759
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
octane-1,4,8-triamine
CID 18544198
36-methylheptatriacontan-1-amine
CID 134324173
nonadecane-1,13-diamine
CID 102135569
octadecane-1,5-diamine
CID 154229011
undecane-1,6-diamine
CID 18419788
(3R)-7-amino-3-methylheptan-2-ol
CID 126613359
18-methylnonadecan-1-amine;hydrochloride
CID 173047380

Frequently Asked Questions

What is the IUPAC name of 2-methyldecane-1,1,10-triamine?
The IUPAC name of 2-methyldecane-1,1,10-triamine (CID 175230718) is 2-methyldecane-1,1,10-triamine.
What is the SMILES notation for 2-methyldecane-1,1,10-triamine?
The canonical SMILES for 2-methyldecane-1,1,10-triamine is CC(CCCCCCCCN)C(N)N.
What is the InChIKey of 2-methyldecane-1,1,10-triamine?
The InChIKey is CNLIKGOPVSRISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-10(11(13)14)8-6-4-2-3-5-7-9-12/h10-11H,2-9,12-14H2,1H3.
What are the key properties of 2-methyldecane-1,1,10-triamine?
2-methyldecane-1,1,10-triamine has a molecular weight of 201.36 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldecane-1,1,10-triamine is sourced from PubChem (CID 175230718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).