N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine

C8H14N2 — CID 89152929

IUPACN-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine
SMILESC=C(C)N/C=C\N=C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)9-5-6-10-8(3)4/h5-6,9H,1H2,2-4H3/b6-5-
InChIKeyOUGXPRHHJHUUDV-WAYWQWQTSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds3

About N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine

N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine (PubChem CID 89152929) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine
PubChem CID89152929
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine
SMILESC=C(C)N/C=C\N=C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)9-5-6-10-8(3)4/h5-6,9H,1H2,2-4H3/b6-5-
InChIKeyOUGXPRHHJHUUDV-WAYWQWQTSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine?
The IUPAC name of N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine (CID 89152929) is N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine.
What is the SMILES notation for N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine?
The canonical SMILES for N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine is C=C(C)N/C=C\N=C(C)C.
What is the InChIKey of N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine?
The InChIKey is OUGXPRHHJHUUDV-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)9-5-6-10-8(3)4/h5-6,9H,1H2,2-4H3/b6-5-.
What are the key properties of N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine?
N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine has a molecular weight of 138.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine is sourced from PubChem (CID 89152929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).