N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine

C11H18N2 — CID 135080051

IUPACN-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine
SMILESC#C/C(=C\C=N\N(C)C)CCCC
InChIInChI=1S/C11H18N2/c1-5-7-8-11(6-2)9-10-12-13(3)4/h2,9-10H,5,7-8H2,1,3-4H3/b11-9+,12-10+
InChIKeySKRDIWADHRFVLO-WGDLNXRISA-N
MW178.28 g/mol
LogP2.28
Rot. Bonds5

About N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine

N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine (PubChem CID 135080051) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine
PubChem CID135080051
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine
SMILESC#C/C(=C\C=N\N(C)C)CCCC
InChIInChI=1S/C11H18N2/c1-5-7-8-11(6-2)9-10-12-13(3)4/h2,9-10H,5,7-8H2,1,3-4H3/b11-9+,12-10+
InChIKeySKRDIWADHRFVLO-WGDLNXRISA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine 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

N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine
CID 11160292
N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
CID 11390132
N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
CID 135079077
2,6,10-Dodecatriene-1-imine, 3,7,11-trimethyl-1-(dimethylamino)-
CID 9602870
N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine
CID 11035629
N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine
CID 177450859
N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine
CID 14087971
N-(2-cyclohexylideneethylideneamino)-N-methylmethanamine
CID 85942820
N-[[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine
CID 131852540
N-[(E)-[(2E)-2-ethylidenepentylidene]amino]-N-methylmethanamine
CID 177566282

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine (CID 135080051) is N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine is C#C/C(=C\C=N\N(C)C)CCCC.
What is the InChIKey of N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine?
The InChIKey is SKRDIWADHRFVLO-WGDLNXRISA-N. The full InChI is InChI=1S/C11H18N2/c1-5-7-8-11(6-2)9-10-12-13(3)4/h2,9-10H,5,7-8H2,1,3-4H3/b11-9+,12-10+.
What are the key properties of N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine?
N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine has a molecular weight of 178.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 135080051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).