(3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine

C9H16N2 — CID 118687324

IUPAC(3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine
SMILES[H]/N=C/C=C\N=C(/C)[C@@H](C)CC
InChIInChI=1S/C9H16N2/c1-4-8(2)9(3)11-7-5-6-10/h5-8,10H,4H2,1-3H3/b7-5-,10-6+,11-9+/t8-/m0/s1
InChIKeyPLMIYNLZZNXWDT-YHMADBGASA-N
MW152.24 g/mol
LogP2.66
Rot. Bonds4

About (3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine

(3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine (PubChem CID 118687324) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine.

Molecular Properties

Compound Name(3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine
PubChem CID118687324
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine
SMILES[H]/N=C/C=C\N=C(/C)[C@@H](C)CC
InChIInChI=1S/C9H16N2/c1-4-8(2)9(3)11-7-5-6-10/h5-8,10H,4H2,1-3H3/b7-5-,10-6+,11-9+/t8-/m0/s1
InChIKeyPLMIYNLZZNXWDT-YHMADBGASA-N
XLogP2.66
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.66
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 (3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine?
The IUPAC name of (3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine (CID 118687324) is (3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine.
What is the SMILES notation for (3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine?
The canonical SMILES for (3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine is [H]/N=C/C=C\N=C(/C)[C@@H](C)CC.
What is the InChIKey of (3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine?
The InChIKey is PLMIYNLZZNXWDT-YHMADBGASA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8(2)9(3)11-7-5-6-10/h5-8,10H,4H2,1-3H3/b7-5-,10-6+,11-9+/t8-/m0/s1.
What are the key properties of (3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine?
(3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine has a molecular weight of 152.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine is sourced from PubChem (CID 118687324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).