N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine

C10H15N — CID 137396612

IUPACN-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine
SMILESC=CC(=C)C1(C)CC1(C)N=C
InChIInChI=1S/C10H15N/c1-6-8(2)9(3)7-10(9,4)11-5/h6H,1-2,5,7H2,3-4H3
InChIKeyRCIWDAPLUBNETN-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.60
Rot. Bonds3

About N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine

N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine (PubChem CID 137396612) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine.

Molecular Properties

Compound NameN-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine
PubChem CID137396612
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine
SMILESC=CC(=C)C1(C)CC1(C)N=C
InChIInChI=1S/C10H15N/c1-6-8(2)9(3)7-10(9,4)11-5/h6H,1-2,5,7H2,3-4H3
InChIKeyRCIWDAPLUBNETN-UHFFFAOYSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.60
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-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine?
The IUPAC name of N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine (CID 137396612) is N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine.
What is the SMILES notation for N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine?
The canonical SMILES for N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine is C=CC(=C)C1(C)CC1(C)N=C.
What is the InChIKey of N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine?
The InChIKey is RCIWDAPLUBNETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-6-8(2)9(3)7-10(9,4)11-5/h6H,1-2,5,7H2,3-4H3.
What are the key properties of N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine?
N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine has a molecular weight of 149.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-buta-1,3-dien-2-yl-1,2-dimethylcyclopropyl)methanimine is sourced from PubChem (CID 137396612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).