1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine

C4H16N6 — CID 87261599

IUPAC1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine
SMILESCCC(CN(N)N)N(N)N
InChIInChI=1S/C4H16N6/c1-2-4(10(7)8)3-9(5)6/h4H,2-3,5-8H2,1H3
InChIKeyQUJZRALJTHDOHC-UHFFFAOYSA-N
MW148.21 g/mol
LogP-2.14
Rot. Bonds4

About 1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine

1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine (PubChem CID 87261599) has the molecular formula C4H16N6 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine
PubChem CID87261599
Molecular FormulaC4H16N6
Molecular Weight148.21 g/mol
Exact Mass148.14
IUPAC Name1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine
SMILESCCC(CN(N)N)N(N)N
InChIInChI=1S/C4H16N6/c1-2-4(10(7)8)3-9(5)6/h4H,2-3,5-8H2,1H3
InChIKeyQUJZRALJTHDOHC-UHFFFAOYSA-N
XLogP-2.14
TPSA110.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diaminononan-5-amine
CID 88511755
(2R)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 103934492
1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 43571008
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
N,N-dichloropentan-3-amine
CID 12720695
2-N,2-N-dimethylbutane-1,2-diamine;dihydrochloride
CID 43810640
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
N,N-diethylpentan-3-amine;hydrobromide
CID 175223065
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449
1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine
CID 43570997
(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide
CID 79491812

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine (CID 87261599) is 1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine is CCC(CN(N)N)N(N)N.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine?
The InChIKey is QUJZRALJTHDOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H16N6/c1-2-4(10(7)8)3-9(5)6/h4H,2-3,5-8H2,1H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine?
1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine has a molecular weight of 148.21 g/mol, XLogP of -2.14, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine is sourced from PubChem (CID 87261599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).