N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine

C10H17N — CID 170643371

IUPACN-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine
SMILESC=C/C=C\C(C)(N=C)C(C)C
InChIInChI=1S/C10H17N/c1-6-7-8-10(4,11-5)9(2)3/h6-9H,1,5H2,2-4H3/b8-7-
InChIKeySVVSMHLNYWXZBE-FPLPWBNLSA-N
MW151.25 g/mol
LogP2.84
Rot. Bonds4

About N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine

N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine (PubChem CID 170643371) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine
PubChem CID170643371
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine
SMILESC=C/C=C\C(C)(N=C)C(C)C
InChIInChI=1S/C10H17N/c1-6-7-8-10(4,11-5)9(2)3/h6-9H,1,5H2,2-4H3/b8-7-
InChIKeySVVSMHLNYWXZBE-FPLPWBNLSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine?
The IUPAC name of N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine (CID 170643371) is N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine.
What is the SMILES notation for N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine?
The canonical SMILES for N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine is C=C/C=C\C(C)(N=C)C(C)C.
What is the InChIKey of N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine?
The InChIKey is SVVSMHLNYWXZBE-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17N/c1-6-7-8-10(4,11-5)9(2)3/h6-9H,1,5H2,2-4H3/b8-7-.
What are the key properties of N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine?
N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine has a molecular weight of 151.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine is sourced from PubChem (CID 170643371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).