N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine

C9H16N2 — CID 142471535

IUPACN-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine
SMILESC=N/C=C(\N=C)C(C)(C)CC
InChIInChI=1S/C9H16N2/c1-6-9(2,3)8(11-5)7-10-4/h7H,4-6H2,1-3H3/b8-7-
InChIKeyUZPJNPXSLNSRLY-FPLPWBNLSA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds4

About N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine

N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine (PubChem CID 142471535) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine
PubChem CID142471535
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine
SMILESC=N/C=C(\N=C)C(C)(C)CC
InChIInChI=1S/C9H16N2/c1-6-9(2,3)8(11-5)7-10-4/h7H,4-6H2,1-3H3/b8-7-
InChIKeyUZPJNPXSLNSRLY-FPLPWBNLSA-N
XLogP2.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
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)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine?
The IUPAC name of N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine (CID 142471535) is N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine is C=N/C=C(\N=C)C(C)(C)CC.
What is the InChIKey of N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine?
The InChIKey is UZPJNPXSLNSRLY-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-9(2,3)8(11-5)7-10-4/h7H,4-6H2,1-3H3/b8-7-.
What are the key properties of N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine?
N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine has a molecular weight of 152.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine is sourced from PubChem (CID 142471535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).