N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine

C9H19N3 — CID 15700476

IUPACN,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine
SMILESCC(C)N=C=NCCCN(C)C
InChIInChI=1S/C9H19N3/c1-9(2)11-8-10-6-5-7-12(3)4/h9H,5-7H2,1-4H3
InChIKeyPXWOZWLVFAWBFN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.52
Rot. Bonds5

About N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine

N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine (PubChem CID 15700476) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine
PubChem CID15700476
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine
SMILESCC(C)N=C=NCCCN(C)C
InChIInChI=1S/C9H19N3/c1-9(2)11-8-10-6-5-7-12(3)4/h9H,5-7H2,1-4H3
InChIKeyPXWOZWLVFAWBFN-UHFFFAOYSA-N
XLogP1.52
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine (CID 15700476) is N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine is CC(C)N=C=NCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine?
The InChIKey is PXWOZWLVFAWBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(2)11-8-10-6-5-7-12(3)4/h9H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine?
N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine is sourced from PubChem (CID 15700476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).