(Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane

C17H30N2 — CID 163248242

IUPAC(Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane
SMILESC/C=N/C(=C(/C)CN)C1C=C(C)C=C(C)CC1.CC
InChIInChI=1S/C15H24N2.C2H6/c1-5-17-15(13(4)10-16)14-7-6-11(2)8-12(3)9-14;1-2/h5,8-9,14H,6-7,10,16H2,1-4H3;1-2H3/b15-13-,17-5+;
InChIKeyHXXBLHJNEADYDH-AWCMGUPDSA-N
MW262.44 g/mol
LogP4.64
Rot. Bonds3

About (Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane

(Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane (PubChem CID 163248242) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane.

Molecular Properties

Compound Name(Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane
PubChem CID163248242
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane
SMILESC/C=N/C(=C(/C)CN)C1C=C(C)C=C(C)CC1.CC
InChIInChI=1S/C15H24N2.C2H6/c1-5-17-15(13(4)10-16)14-7-6-11(2)8-12(3)9-14;1-2/h5,8-9,14H,6-7,10,16H2,1-4H3;1-2H3/b15-13-,17-5+;
InChIKeyHXXBLHJNEADYDH-AWCMGUPDSA-N
XLogP4.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane 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

3-(ethylideneamino)-N,7-dimethyl-4-methylidenecyclohept-2-en-1-amine
CID 89503466
(7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine
CID 91524962
(4E)-4-[(6Z)-7-(2-iminoethyl)-3-methyl-4,5-dihydro-3H-azocin-8-ylidene]cycloheptan-1-amine
CID 123498622
4-[[[(E)-3-(4-aminocyclohexa-1,3-dien-1-yl)prop-2-enylidene]amino]methyl]-6-methylcyclohexa-1,3-dien-1-amine
CID 129254493
2-[(2Z,3Z)-3-ethyl-2-ethylidene-5-methylhexa-3,5-dienyl]-5-(ethylideneamino)-4,6-dimethylcyclohexa-2,4-dien-1-amine
CID 138646565
2-Ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine
CID 139334574
2-[(Z)-5-methylhept-3-en-3-yl]-5-propyl-1-azacyclohepta-2,3,5,7-tetraene
CID 141939758
N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine
CID 142428648
2,7-ditert-butyl-5-[(1E,3Z)-3-[(ethylideneamino)methyl]hexa-1,3-dienyl]cyclohepta-1,4,6-trien-1-amine
CID 142854977
Ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine
CID 143346533
N'-butan-2-ylidene-2-cyclohepta-1,3,5-trien-1-ylbutane-1,4-diimine;ethane
CID 144145258
(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine
CID 145144066

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane?
The IUPAC name of (Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane (CID 163248242) is (Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane.
What is the SMILES notation for (Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane?
The canonical SMILES for (Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane is C/C=N/C(=C(/C)CN)C1C=C(C)C=C(C)CC1.CC.
What is the InChIKey of (Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane?
The InChIKey is HXXBLHJNEADYDH-AWCMGUPDSA-N. The full InChI is InChI=1S/C15H24N2.C2H6/c1-5-17-15(13(4)10-16)14-7-6-11(2)8-12(3)9-14;1-2/h5,8-9,14H,6-7,10,16H2,1-4H3;1-2H3/b15-13-,17-5+;.
What are the key properties of (Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane?
(Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane has a molecular weight of 262.44 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane is sourced from PubChem (CID 163248242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).