N-ethenyl-N-[(E)-propylideneamino]propan-2-amine

C8H16N2 — CID 90250580

IUPACN-ethenyl-N-[(E)-propylideneamino]propan-2-amine
SMILESC=CN(/N=C/CC)C(C)C
InChIInChI=1S/C8H16N2/c1-5-7-9-10(6-2)8(3)4/h6-8H,2,5H2,1,3-4H3/b9-7+
InChIKeyVNOODELVWOSNQP-VQHVLOKHSA-N
MW140.23 g/mol
LogP2.24
Rot. Bonds4

About N-ethenyl-N-[(E)-propylideneamino]propan-2-amine

N-ethenyl-N-[(E)-propylideneamino]propan-2-amine (PubChem CID 90250580) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-ethenyl-N-[(E)-propylideneamino]propan-2-amine.

Molecular Properties

Compound NameN-ethenyl-N-[(E)-propylideneamino]propan-2-amine
PubChem CID90250580
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-ethenyl-N-[(E)-propylideneamino]propan-2-amine
SMILESC=CN(/N=C/CC)C(C)C
InChIInChI=1S/C8H16N2/c1-5-7-9-10(6-2)8(3)4/h6-8H,2,5H2,1,3-4H3/b9-7+
InChIKeyVNOODELVWOSNQP-VQHVLOKHSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-[(E)-propylideneamino]propan-2-amine?
The IUPAC name of N-ethenyl-N-[(E)-propylideneamino]propan-2-amine (CID 90250580) is N-ethenyl-N-[(E)-propylideneamino]propan-2-amine.
What is the SMILES notation for N-ethenyl-N-[(E)-propylideneamino]propan-2-amine?
The canonical SMILES for N-ethenyl-N-[(E)-propylideneamino]propan-2-amine is C=CN(/N=C/CC)C(C)C.
What is the InChIKey of N-ethenyl-N-[(E)-propylideneamino]propan-2-amine?
The InChIKey is VNOODELVWOSNQP-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-7-9-10(6-2)8(3)4/h6-8H,2,5H2,1,3-4H3/b9-7+.
What are the key properties of N-ethenyl-N-[(E)-propylideneamino]propan-2-amine?
N-ethenyl-N-[(E)-propylideneamino]propan-2-amine has a molecular weight of 140.23 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[(E)-propylideneamino]propan-2-amine is sourced from PubChem (CID 90250580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).