N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine

C15H32N4 — CID 91521102

IUPACN,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine
SMILESCC(C)=NCCCNCCCNCCCN=C(C)C
InChIInChI=1S/C15H32N4/c1-14(2)18-12-6-10-16-8-5-9-17-11-7-13-19-15(3)4/h16-17H,5-13H2,1-4H3
InChIKeyGDECLUZFRODOJW-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.30
Rot. Bonds12

About N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine

N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine (PubChem CID 91521102) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine
PubChem CID91521102
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine
SMILESCC(C)=NCCCNCCCNCCCN=C(C)C
InChIInChI=1S/C15H32N4/c1-14(2)18-12-6-10-16-8-5-9-17-11-7-13-19-15(3)4/h16-17H,5-13H2,1-4H3
InChIKeyGDECLUZFRODOJW-UHFFFAOYSA-N
XLogP2.30
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine?
The IUPAC name of N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine (CID 91521102) is N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine?
The canonical SMILES for N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine is CC(C)=NCCCNCCCNCCCN=C(C)C.
What is the InChIKey of N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine?
The InChIKey is GDECLUZFRODOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-14(2)18-12-6-10-16-8-5-9-17-11-7-13-19-15(3)4/h16-17H,5-13H2,1-4H3.
What are the key properties of N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine?
N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine has a molecular weight of 268.45 g/mol, XLogP of 2.30, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(propan-2-ylideneamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 91521102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).