N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine

C12H19N — CID 163502857

IUPACN-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine
SMILESC=NC1(/C(=C/C)CC(=C)CC)CC1
InChIInChI=1S/C12H19N/c1-5-10(3)9-11(6-2)12(13-4)7-8-12/h6H,3-5,7-9H2,1-2H3/b11-6+
InChIKeyCWFBBTOSCTZAJK-IZZDOVSWSA-N
MW177.29 g/mol
LogP3.52
Rot. Bonds5

About N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine

N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine (PubChem CID 163502857) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine.

Molecular Properties

Compound NameN-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine
PubChem CID163502857
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine
SMILESC=NC1(/C(=C/C)CC(=C)CC)CC1
InChIInChI=1S/C12H19N/c1-5-10(3)9-11(6-2)12(13-4)7-8-12/h6H,3-5,7-9H2,1-2H3/b11-6+
InChIKeyCWFBBTOSCTZAJK-IZZDOVSWSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-ethyl-3-methyl-5-methylidene-2-prop-1-en-2-ylhept-2-en-1-imine
CID 146321029
N-[(Z)-but-2-en-2-yl]-2-methylidenebutan-1-amine
CID 138749552
3-methylidenepentane;hydrate
CID 162329688
4-methyl-6-methylideneoct-3-en-1-amine
CID 79590523
1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one
CID 79067295
N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine
CID 105416854
1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66046891
1-(4-aminooxan-4-yl)-3-methylidenepentan-1-one
CID 116604774
(5Z)-3,5-diethylocta-2,5-diene
CID 123811464
3-ethyl-6-methylideneoct-2-ene
CID 123634534
N-[(E)-hex-3-en-3-yl]methanimine
CID 130348791
1-[1-(aminomethyl)cyclobutyl]-4-methylidenehexan-2-one
CID 116599628

Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine?
The IUPAC name of N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine (CID 163502857) is N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine.
What is the SMILES notation for N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine?
The canonical SMILES for N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine is C=NC1(/C(=C/C)CC(=C)CC)CC1.
What is the InChIKey of N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine?
The InChIKey is CWFBBTOSCTZAJK-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H19N/c1-5-10(3)9-11(6-2)12(13-4)7-8-12/h6H,3-5,7-9H2,1-2H3/b11-6+.
What are the key properties of N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine?
N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine has a molecular weight of 177.29 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-5-methylidenehept-2-en-3-yl]cyclopropyl]methanimine is sourced from PubChem (CID 163502857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).