N,N-dimethyl-3-(propylideneamino)propan-1-amine

C8H18N2 — CID 57300583

IUPACN,N-dimethyl-3-(propylideneamino)propan-1-amine
SMILESCC/C=N/CCCN(C)C
InChIInChI=1S/C8H18N2/c1-4-6-9-7-5-8-10(2)3/h6H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyJSUGPIMQCIROMV-RMKNXTFCSA-N
MW142.25 g/mol
LogP1.42
Rot. Bonds5

About N,N-dimethyl-3-(propylideneamino)propan-1-amine

N,N-dimethyl-3-(propylideneamino)propan-1-amine (PubChem CID 57300583) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N-dimethyl-3-(propylideneamino)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(propylideneamino)propan-1-amine
PubChem CID57300583
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N-dimethyl-3-(propylideneamino)propan-1-amine
SMILESCC/C=N/CCCN(C)C
InChIInChI=1S/C8H18N2/c1-4-6-9-7-5-8-10(2)3/h6H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyJSUGPIMQCIROMV-RMKNXTFCSA-N
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(propylideneamino)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(propylideneamino)propan-1-amine (CID 57300583) is N,N-dimethyl-3-(propylideneamino)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(propylideneamino)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(propylideneamino)propan-1-amine is CC/C=N/CCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(propylideneamino)propan-1-amine?
The InChIKey is JSUGPIMQCIROMV-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-9-7-5-8-10(2)3/h6H,4-5,7-8H2,1-3H3/b9-6+.
What are the key properties of N,N-dimethyl-3-(propylideneamino)propan-1-amine?
N,N-dimethyl-3-(propylideneamino)propan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(propylideneamino)propan-1-amine is sourced from PubChem (CID 57300583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).