N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine

C8H15N3 — CID 123629198

IUPACN-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine
SMILES[H]/N=C/C=C/N=C/C(C)NCC
InChIInChI=1S/C8H15N3/c1-3-11-8(2)7-10-6-4-5-9/h4-9,11H,3H2,1-2H3/b6-4?,9-5+,10-7+
InChIKeyFJXPOMKLSXANIZ-NDVHFPPXSA-N
MW153.23 g/mol
LogP1.22
Rot. Bonds5

About N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine

N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine (PubChem CID 123629198) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine
PubChem CID123629198
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine
SMILES[H]/N=C/C=C/N=C/C(C)NCC
InChIInChI=1S/C8H15N3/c1-3-11-8(2)7-10-6-4-5-9/h4-9,11H,3H2,1-2H3/b6-4?,9-5+,10-7+
InChIKeyFJXPOMKLSXANIZ-NDVHFPPXSA-N
XLogP1.22
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine?
The IUPAC name of N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine (CID 123629198) is N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine is [H]/N=C/C=C/N=C/C(C)NCC.
What is the InChIKey of N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine?
The InChIKey is FJXPOMKLSXANIZ-NDVHFPPXSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-11-8(2)7-10-6-4-5-9/h4-9,11H,3H2,1-2H3/b6-4?,9-5+,10-7+.
What are the key properties of N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine?
N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine is sourced from PubChem (CID 123629198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).