4-cyclopropyl-N,2-dimethylpent-1-en-3-imine

C10H17N — CID 139503984

IUPAC4-cyclopropyl-N,2-dimethylpent-1-en-3-imine
SMILESC=C(C)/C(=N\C)C(C)C1CC1
InChIInChI=1S/C10H17N/c1-7(2)10(11-4)8(3)9-5-6-9/h8-9H,1,5-6H2,2-4H3/b11-10+
InChIKeyPQPMZYZIHPFBCM-ZHACJKMWSA-N
MW151.25 g/mol
LogP2.68
Rot. Bonds3

About 4-cyclopropyl-N,2-dimethylpent-1-en-3-imine

4-cyclopropyl-N,2-dimethylpent-1-en-3-imine (PubChem CID 139503984) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-cyclopropyl-N,2-dimethylpent-1-en-3-imine.

Molecular Properties

Compound Name4-cyclopropyl-N,2-dimethylpent-1-en-3-imine
PubChem CID139503984
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-cyclopropyl-N,2-dimethylpent-1-en-3-imine
SMILESC=C(C)/C(=N\C)C(C)C1CC1
InChIInChI=1S/C10H17N/c1-7(2)10(11-4)8(3)9-5-6-9/h8-9H,1,5-6H2,2-4H3/b11-10+
InChIKeyPQPMZYZIHPFBCM-ZHACJKMWSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-cyclopropyl-N,2-dimethylpent-1-en-3-imine?
The IUPAC name of 4-cyclopropyl-N,2-dimethylpent-1-en-3-imine (CID 139503984) is 4-cyclopropyl-N,2-dimethylpent-1-en-3-imine.
What is the SMILES notation for 4-cyclopropyl-N,2-dimethylpent-1-en-3-imine?
The canonical SMILES for 4-cyclopropyl-N,2-dimethylpent-1-en-3-imine is C=C(C)/C(=N\C)C(C)C1CC1.
What is the InChIKey of 4-cyclopropyl-N,2-dimethylpent-1-en-3-imine?
The InChIKey is PQPMZYZIHPFBCM-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)10(11-4)8(3)9-5-6-9/h8-9H,1,5-6H2,2-4H3/b11-10+.
What are the key properties of 4-cyclopropyl-N,2-dimethylpent-1-en-3-imine?
4-cyclopropyl-N,2-dimethylpent-1-en-3-imine has a molecular weight of 151.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N,2-dimethylpent-1-en-3-imine is sourced from PubChem (CID 139503984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).