1-[3-(dimethylamino)propylimino]prop-1-en-2-amine

C8H17N3 — CID 176541610

IUPAC1-[3-(dimethylamino)propylimino]prop-1-en-2-amine
SMILESCC(N)=C=NCCCN(C)C
InChIInChI=1S/C8H17N3/c1-8(9)7-10-5-4-6-11(2)3/h4-6,9H2,1-3H3
InChIKeyWJBJEOMRIAVKBG-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.47
Rot. Bonds4

About 1-[3-(dimethylamino)propylimino]prop-1-en-2-amine

1-[3-(dimethylamino)propylimino]prop-1-en-2-amine (PubChem CID 176541610) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propylimino]prop-1-en-2-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propylimino]prop-1-en-2-amine
PubChem CID176541610
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1-[3-(dimethylamino)propylimino]prop-1-en-2-amine
SMILESCC(N)=C=NCCCN(C)C
InChIInChI=1S/C8H17N3/c1-8(9)7-10-5-4-6-11(2)3/h4-6,9H2,1-3H3
InChIKeyWJBJEOMRIAVKBG-UHFFFAOYSA-N
XLogP0.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
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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Related Compounds

3-isothiocyanato-N,N-dimethylpropan-1-amine;hydrochloride
CID 17365655
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide
CID 152658412
3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
CID 19063554
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 135981086
3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 174829721
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 170171084

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propylimino]prop-1-en-2-amine?
The IUPAC name of 1-[3-(dimethylamino)propylimino]prop-1-en-2-amine (CID 176541610) is 1-[3-(dimethylamino)propylimino]prop-1-en-2-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propylimino]prop-1-en-2-amine?
The canonical SMILES for 1-[3-(dimethylamino)propylimino]prop-1-en-2-amine is CC(N)=C=NCCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propylimino]prop-1-en-2-amine?
The InChIKey is WJBJEOMRIAVKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(9)7-10-5-4-6-11(2)3/h4-6,9H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propylimino]prop-1-en-2-amine?
1-[3-(dimethylamino)propylimino]prop-1-en-2-amine has a molecular weight of 155.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propylimino]prop-1-en-2-amine is sourced from PubChem (CID 176541610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).