3-[amino(propyl)amino]propan-1-amine

C12H34N6 — CID 174913474

IUPAC3-[amino(propyl)amino]propan-1-amine
SMILESCCCN(N)CCCN.CCCN(N)CCCN
InChIInChI=1S/2C6H17N3/c2*1-2-5-9(8)6-3-4-7/h2*2-8H2,1H3
InChIKeyJNXIZLQDVREHJE-UHFFFAOYSA-N
MW262.45 g/mol
LogP-0.16
Rot. Bonds10

About 3-[amino(propyl)amino]propan-1-amine

3-[amino(propyl)amino]propan-1-amine (PubChem CID 174913474) has the molecular formula C12H34N6 and a molecular weight of 262.45 g/mol. Its IUPAC name is 3-[amino(propyl)amino]propan-1-amine.

Molecular Properties

Compound Name3-[amino(propyl)amino]propan-1-amine
PubChem CID174913474
Molecular FormulaC12H34N6
Molecular Weight262.45 g/mol
Exact Mass262.28
IUPAC Name3-[amino(propyl)amino]propan-1-amine
SMILESCCCN(N)CCCN.CCCN(N)CCCN
InChIInChI=1S/2C6H17N3/c2*1-2-5-9(8)6-3-4-7/h2*2-8H2,1H3
InChIKeyJNXIZLQDVREHJE-UHFFFAOYSA-N
XLogP-0.16
TPSA110.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.45
LogP ≤ 5-0.16
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'}

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Related Compounds

2-[amino(3-ethylsilylpropyl)amino]ethanamine
CID 173181316
5-[amino(ethyl)amino]pentan-1-amine
CID 20669758
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine
CID 88793333
[amino(3-aminopropyl)amino]methylboronic acid;ethane
CID 144561828
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N',N'-dimethylpropane-1,3-diamine;docosane
CID 174425037
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
CID 167586856
[2-(3-aminopropyl)-2-propylhydrazinyl]methanol
CID 91622983

Frequently Asked Questions

What is the IUPAC name of 3-[amino(propyl)amino]propan-1-amine?
The IUPAC name of 3-[amino(propyl)amino]propan-1-amine (CID 174913474) is 3-[amino(propyl)amino]propan-1-amine.
What is the SMILES notation for 3-[amino(propyl)amino]propan-1-amine?
The canonical SMILES for 3-[amino(propyl)amino]propan-1-amine is CCCN(N)CCCN.CCCN(N)CCCN.
What is the InChIKey of 3-[amino(propyl)amino]propan-1-amine?
The InChIKey is JNXIZLQDVREHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H17N3/c2*1-2-5-9(8)6-3-4-7/h2*2-8H2,1H3.
What are the key properties of 3-[amino(propyl)amino]propan-1-amine?
3-[amino(propyl)amino]propan-1-amine has a molecular weight of 262.45 g/mol, XLogP of -0.16, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(propyl)amino]propan-1-amine is sourced from PubChem (CID 174913474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).