propane-1,1,1,2,2-pentamine

C3H13N5 — CID 21225260

IUPACpropane-1,1,1,2,2-pentamine
SMILESCC(N)(N)C(N)(N)N
InChIInChI=1S/C3H13N5/c1-2(4,5)3(6,7)8/h4-8H2,1H3
InChIKeyWLMHGOAYUQWWTL-UHFFFAOYSA-N
MW119.17 g/mol
LogP-2.85
Rot. Bonds1

About propane-1,1,1,2,2-pentamine

propane-1,1,1,2,2-pentamine (PubChem CID 21225260) has the molecular formula C3H13N5 and a molecular weight of 119.17 g/mol. Its IUPAC name is propane-1,1,1,2,2-pentamine.

Molecular Properties

Compound Namepropane-1,1,1,2,2-pentamine
PubChem CID21225260
Molecular FormulaC3H13N5
Molecular Weight119.17 g/mol
Exact Mass119.12
IUPAC Namepropane-1,1,1,2,2-pentamine
SMILESCC(N)(N)C(N)(N)N
InChIInChI=1S/C3H13N5/c1-2(4,5)3(6,7)8/h4-8H2,1H3
InChIKeyWLMHGOAYUQWWTL-UHFFFAOYSA-N
XLogP-2.85
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 5-2.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze propane-1,1,1,2,2-pentamine 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

CID 175795972
CID 175795972
tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
CID 159299187
bis(2-methylpropan-2-amine);dihydrochloride
CID 175186319
ethane;2-methylpropan-2-amine
CID 142052554
1-silylethane-1,1-diamine
CID 123735902
magnesium;2-methylpropan-2-amine;dibromide
CID 175491555
1-aminoethane-1,1-diol;hydrochloride
CID 173034802
bis(2-methylpropan-2-amine);propane
CID 160822364
alumane;2-aminopropan-2-ol
CID 175409057
2-aminopropan-2-ol;copper
CID 87854275
methanethione;2-methylpropan-2-amine
CID 167458239
1-N"-methylpropane-1,1,1,2,2-pentamine
CID 163613677

Frequently Asked Questions

What is the IUPAC name of propane-1,1,1,2,2-pentamine?
The IUPAC name of propane-1,1,1,2,2-pentamine (CID 21225260) is propane-1,1,1,2,2-pentamine.
What is the SMILES notation for propane-1,1,1,2,2-pentamine?
The canonical SMILES for propane-1,1,1,2,2-pentamine is CC(N)(N)C(N)(N)N.
What is the InChIKey of propane-1,1,1,2,2-pentamine?
The InChIKey is WLMHGOAYUQWWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H13N5/c1-2(4,5)3(6,7)8/h4-8H2,1H3.
What are the key properties of propane-1,1,1,2,2-pentamine?
propane-1,1,1,2,2-pentamine has a molecular weight of 119.17 g/mol, XLogP of -2.85, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,1,1,2,2-pentamine is sourced from PubChem (CID 21225260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).