2-methylpropane-1,1,3-triamine

C4H13N3 — CID 21453590

IUPAC2-methylpropane-1,1,3-triamine
SMILESCC(CN)C(N)N
InChIInChI=1S/C4H13N3/c1-3(2-5)4(6)7/h3-4H,2,5-7H2,1H3
InChIKeyFDNXFGBTUHPRJD-UHFFFAOYSA-N
MW103.17 g/mol
LogP-1.18
Rot. Bonds2

About 2-methylpropane-1,1,3-triamine

2-methylpropane-1,1,3-triamine (PubChem CID 21453590) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is 2-methylpropane-1,1,3-triamine.

Molecular Properties

Compound Name2-methylpropane-1,1,3-triamine
PubChem CID21453590
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Name2-methylpropane-1,1,3-triamine
SMILESCC(CN)C(N)N
InChIInChI=1S/C4H13N3/c1-3(2-5)4(6)7/h3-4H,2,5-7H2,1H3
InChIKeyFDNXFGBTUHPRJD-UHFFFAOYSA-N
XLogP-1.18
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isobutylamine
CID 6558
Isobutylammonium
CID 3041751
1-Propanamine, 2-methyl-, conjugate acid
CID 7311734
1,3-Propanediamine, 2-(aminomethyl)-
CID 10313091
2-Methyl-1,3-propanediamine
CID 14499052
2-Methylpropane-1,3-diamine dihydrochloride
CID 18961237
Diamino-2-methylpropane
CID 21872147
3-Fluoro-2-methylpropane-1,1-diamine
CID 134422264
CID 134853483
CID 134853483
CID 5476688
CID 5476688
2-(Aminomethyl)butan-1-amine
CID 14499053
2-Methyl-1,3-propandiamine hydrochloride
CID 17851079

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1,1,3-triamine?
The IUPAC name of 2-methylpropane-1,1,3-triamine (CID 21453590) is 2-methylpropane-1,1,3-triamine.
What is the SMILES notation for 2-methylpropane-1,1,3-triamine?
The canonical SMILES for 2-methylpropane-1,1,3-triamine is CC(CN)C(N)N.
What is the InChIKey of 2-methylpropane-1,1,3-triamine?
The InChIKey is FDNXFGBTUHPRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3/c1-3(2-5)4(6)7/h3-4H,2,5-7H2,1H3.
What are the key properties of 2-methylpropane-1,1,3-triamine?
2-methylpropane-1,1,3-triamine has a molecular weight of 103.17 g/mol, XLogP of -1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1,1,3-triamine is sourced from PubChem (CID 21453590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).