(Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine

C12H22N2 — CID 144686628

IUPAC(Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine
SMILESC=N/C(C)=C(/C)C(=C)C(C)CCNC
InChIInChI=1S/C12H22N2/c1-9(7-8-13-5)10(2)11(3)12(4)14-6/h9,13H,2,6-8H2,1,3-5H3/b12-11-
InChIKeyUJCMNDGTYDTIOB-QXMHVHEDSA-N
MW194.32 g/mol
LogP2.78
Rot. Bonds6

About (Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine

(Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine (PubChem CID 144686628) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine.

Molecular Properties

Compound Name(Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine
PubChem CID144686628
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine
SMILESC=N/C(C)=C(/C)C(=C)C(C)CCNC
InChIInChI=1S/C12H22N2/c1-9(7-8-13-5)10(2)11(3)12(4)14-6/h9,13H,2,6-8H2,1,3-5H3/b12-11-
InChIKeyUJCMNDGTYDTIOB-QXMHVHEDSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine 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

4-methylidene-5,6-di(propan-2-yl)-2,3-dihydro-1H-pyridine
CID 60125823
(3R)-2-(1-aminoethenyl)-N,3-dimethylcyclopenten-1-amine
CID 68242633
3-(ethylideneamino)-N,7-dimethyl-4-methylidenecyclohept-2-en-1-amine
CID 89503466
2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine
CID 123504058
(1E)-1-[2-[(3E)-hexa-3,5-dien-3-yl]-3-(methylideneamino)cyclopropylidene]-N,2-dimethylbutan-1-amine
CID 129064362
(6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine
CID 129276642
(4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine
CID 130181126
N,4,5,7-tetramethyl-6-prop-1-en-2-ylocta-5,7-dien-1-amine
CID 130242925
N-[(2Z,4E)-6-(azetidin-3-yl)-5-methylhexa-2,4-dien-2-yl]methanimine
CID 132180455
(1Z,3E)-1-N,3-dimethyl-2-[(4Z,6Z)-5-methyl-7-(methylideneamino)octa-4,6-dien-2-yl]penta-1,3-diene-1,4-diamine
CID 132186036
(3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 137468664
N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
CID 139331985

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine?
The IUPAC name of (Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine (CID 144686628) is (Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine.
What is the SMILES notation for (Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine?
The canonical SMILES for (Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine is C=N/C(C)=C(/C)C(=C)C(C)CCNC.
What is the InChIKey of (Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine?
The InChIKey is UJCMNDGTYDTIOB-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(7-8-13-5)10(2)11(3)12(4)14-6/h9,13H,2,6-8H2,1,3-5H3/b12-11-.
What are the key properties of (Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine?
(Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3,5-trimethyl-4-methylidene-6-(methylideneamino)hept-5-en-1-amine is sourced from PubChem (CID 144686628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).