2-(aminomethyl)-2-octylpropane-1,3-diamine

C12H29N3 — CID 13067190

IUPAC2-(aminomethyl)-2-octylpropane-1,3-diamine
SMILESCCCCCCCCC(CN)(CN)CN
InChIInChI=1S/C12H29N3/c1-2-3-4-5-6-7-8-12(9-13,10-14)11-15/h2-11,13-15H2,1H3
InChIKeySYQNRHPEHMEZLF-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.60
Rot. Bonds10

About 2-(aminomethyl)-2-octylpropane-1,3-diamine

2-(aminomethyl)-2-octylpropane-1,3-diamine (PubChem CID 13067190) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-(aminomethyl)-2-octylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(aminomethyl)-2-octylpropane-1,3-diamine
PubChem CID13067190
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name2-(aminomethyl)-2-octylpropane-1,3-diamine
SMILESCCCCCCCCC(CN)(CN)CN
InChIInChI=1S/C12H29N3/c1-2-3-4-5-6-7-8-12(9-13,10-14)11-15/h2-11,13-15H2,1H3
InChIKeySYQNRHPEHMEZLF-UHFFFAOYSA-N
XLogP1.60
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
2-butyl-2-ethyldodecan-1-amine
CID 55195465
2-(aminomethyl)-2-[(Z)-heptadec-8-enyl]propane-1,3-diamine
CID 87409752
2-(aminomethyl)-2-tetradecylpropane-1,3-diol
CID 139977748
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
8-hexyl-8-pentylhexadecane
CID 521602
4,4-dipentylnonan-1-amine
CID 88632324
10,10-dibutylicosane
CID 151498539
2-(methoxymethyl)-2-propyldecan-1-amine
CID 139968844
N',N',2,2-tetrakis-decylpropane-1,3-diamine
CID 151621553

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-octylpropane-1,3-diamine?
The IUPAC name of 2-(aminomethyl)-2-octylpropane-1,3-diamine (CID 13067190) is 2-(aminomethyl)-2-octylpropane-1,3-diamine.
What is the SMILES notation for 2-(aminomethyl)-2-octylpropane-1,3-diamine?
The canonical SMILES for 2-(aminomethyl)-2-octylpropane-1,3-diamine is CCCCCCCCC(CN)(CN)CN.
What is the InChIKey of 2-(aminomethyl)-2-octylpropane-1,3-diamine?
The InChIKey is SYQNRHPEHMEZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-2-3-4-5-6-7-8-12(9-13,10-14)11-15/h2-11,13-15H2,1H3.
What are the key properties of 2-(aminomethyl)-2-octylpropane-1,3-diamine?
2-(aminomethyl)-2-octylpropane-1,3-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.60, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-octylpropane-1,3-diamine is sourced from PubChem (CID 13067190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).