1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine

C9H24N4 — CID 18618172

IUPAC1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine
SMILESCC(N)CN(CC(C)N)CC(C)N
InChIInChI=1S/C9H24N4/c1-7(10)4-13(5-8(2)11)6-9(3)12/h7-9H,4-6,10-12H2,1-3H3
InChIKeyWUEHOBBABKCBHF-UHFFFAOYSA-N
MW188.32 g/mol
LogP-0.67
Rot. Bonds6

About 1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine

1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine (PubChem CID 18618172) has the molecular formula C9H24N4 and a molecular weight of 188.32 g/mol. Its IUPAC name is 1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine
PubChem CID18618172
Molecular FormulaC9H24N4
Molecular Weight188.32 g/mol
Exact Mass188.20
IUPAC Name1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine
SMILESCC(N)CN(CC(C)N)CC(C)N
InChIInChI=1S/C9H24N4/c1-7(10)4-13(5-8(2)11)6-9(3)12/h7-9H,4-6,10-12H2,1-3H3
InChIKeyWUEHOBBABKCBHF-UHFFFAOYSA-N
XLogP-0.67
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine (CID 18618172) is 1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine is CC(N)CN(CC(C)N)CC(C)N.
What is the InChIKey of 1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine?
The InChIKey is WUEHOBBABKCBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4/c1-7(10)4-13(5-8(2)11)6-9(3)12/h7-9H,4-6,10-12H2,1-3H3.
What are the key properties of 1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine?
1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine has a molecular weight of 188.32 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2-aminopropyl)propane-1,2-diamine is sourced from PubChem (CID 18618172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).