3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine

C13H24N2 — CID 90968257

IUPAC3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
SMILES[H]/N=C/C(C)=C(C(C)=CCCC)C(C)NC
InChIInChI=1S/C13H24N2/c1-6-7-8-10(2)13(11(3)9-14)12(4)15-5/h8-9,12,14-15H,6-7H2,1-5H3/b10-8?,13-11?,14-9+
InChIKeyXYJIVZDEIPTWQO-OCDQGPFPSA-N
MW208.35 g/mol
LogP3.31
Rot. Bonds6

About 3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine

3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine (PubChem CID 90968257) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine.

Molecular Properties

Compound Name3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
PubChem CID90968257
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
SMILES[H]/N=C/C(C)=C(C(C)=CCCC)C(C)NC
InChIInChI=1S/C13H24N2/c1-6-7-8-10(2)13(11(3)9-14)12(4)15-5/h8-9,12,14-15H,6-7H2,1-5H3/b10-8?,13-11?,14-9+
InChIKeyXYJIVZDEIPTWQO-OCDQGPFPSA-N
XLogP3.31
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine
CID 88905588
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
(E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine
CID 89276234
(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine
CID 89390271
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
1-(4-ethyl-3H-azepin-6-yl)-N-methylethanamine
CID 123236699
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
CID 123641838
N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
CID 123736016
N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine
CID 123919390
(2E,4E)-4-ethenyl-2-methanimidoyl-N,3-dimethylhepta-2,4,6-trien-1-amine
CID 124186875
(3E,5E)-4-[(Z)-2-methanimidoylbut-2-enyl]-2-N-methylhepta-3,5-diene-2,3,6-triamine
CID 126675709

Frequently Asked Questions

What is the IUPAC name of 3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine?
The IUPAC name of 3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine (CID 90968257) is 3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine.
What is the SMILES notation for 3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine?
The canonical SMILES for 3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine is [H]/N=C/C(C)=C(C(C)=CCCC)C(C)NC.
What is the InChIKey of 3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine?
The InChIKey is XYJIVZDEIPTWQO-OCDQGPFPSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-7-8-10(2)13(11(3)9-14)12(4)15-5/h8-9,12,14-15H,6-7H2,1-5H3/b10-8?,13-11?,14-9+.
What are the key properties of 3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine?
3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine has a molecular weight of 208.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine is sourced from PubChem (CID 90968257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).