4-[amino(propyl)amino]-2-methylbutan-2-amine

C8H21N3 — CID 87161285

IUPAC4-[amino(propyl)amino]-2-methylbutan-2-amine
SMILESCCCN(N)CCC(C)(C)N
InChIInChI=1S/C8H21N3/c1-4-6-11(10)7-5-8(2,3)9/h4-7,9-10H2,1-3H3
InChIKeyIEHUAHPUAOJTAQ-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.70
Rot. Bonds5

About 4-[amino(propyl)amino]-2-methylbutan-2-amine

4-[amino(propyl)amino]-2-methylbutan-2-amine (PubChem CID 87161285) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is 4-[amino(propyl)amino]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[amino(propyl)amino]-2-methylbutan-2-amine
PubChem CID87161285
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name4-[amino(propyl)amino]-2-methylbutan-2-amine
SMILESCCCN(N)CCC(C)(C)N
InChIInChI=1S/C8H21N3/c1-4-6-11(10)7-5-8(2,3)9/h4-7,9-10H2,1-3H3
InChIKeyIEHUAHPUAOJTAQ-UHFFFAOYSA-N
XLogP0.70
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(propyl)amino]-2-methylbutan-2-amine?
The IUPAC name of 4-[amino(propyl)amino]-2-methylbutan-2-amine (CID 87161285) is 4-[amino(propyl)amino]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[amino(propyl)amino]-2-methylbutan-2-amine?
The canonical SMILES for 4-[amino(propyl)amino]-2-methylbutan-2-amine is CCCN(N)CCC(C)(C)N.
What is the InChIKey of 4-[amino(propyl)amino]-2-methylbutan-2-amine?
The InChIKey is IEHUAHPUAOJTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-4-6-11(10)7-5-8(2,3)9/h4-7,9-10H2,1-3H3.
What are the key properties of 4-[amino(propyl)amino]-2-methylbutan-2-amine?
4-[amino(propyl)amino]-2-methylbutan-2-amine has a molecular weight of 159.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(propyl)amino]-2-methylbutan-2-amine is sourced from PubChem (CID 87161285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).