N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine

C13H22N2 — CID 123320059

IUPACN-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine
SMILESC=C(C=CC)CN(C)/C=C(C)\N=C\CC
InChIInChI=1S/C13H22N2/c1-6-8-12(3)10-15(5)11-13(4)14-9-7-2/h6,8-9,11H,3,7,10H2,1-2,4-5H3/b8-6?,13-11-,14-9+
InChIKeyWOQUWYKVFCGIIV-FALSCNNPSA-N
MW206.33 g/mol
LogP3.39
Rot. Bonds6

About N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine

N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine (PubChem CID 123320059) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine
PubChem CID123320059
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine
SMILESC=C(C=CC)CN(C)/C=C(C)\N=C\CC
InChIInChI=1S/C13H22N2/c1-6-8-12(3)10-15(5)11-13(4)14-9-7-2/h6,8-9,11H,3,7,10H2,1-2,4-5H3/b8-6?,13-11-,14-9+
InChIKeyWOQUWYKVFCGIIV-FALSCNNPSA-N
XLogP3.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
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

[(3Z,5Z)-4-fluoro-3-methylocta-1,3,5-trien-2-yl]-methyl-prop-2-enylideneazanium
CID 153552729
8-Dimethylamino-5-methyl-3,5,7-nonatrienylidenedimethylammonium iodide
CID 129808885
1-methyl-3-[(1-methyl-2H-pyrrol-1-ium-3-yl)methylidene]-2H-pyrrole
CID 54207140
12-Methyl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1(15),2,4,6,8,10-hexaene
CID 57306056
[(2E,4Z,6E,8E)-9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 59109574
1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium
CID 59188823
1-methyl-3-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-2H-pyrrole
CID 59874184
1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole
CID 59893251
[9-(Dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 72519405
7-methyl-6H-1,7-naphthyridine
CID 85972581
(2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine
CID 88586056
(2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine
CID 90152403

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine?
The IUPAC name of N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine (CID 123320059) is N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine.
What is the SMILES notation for N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine?
The canonical SMILES for N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine is C=C(C=CC)CN(C)/C=C(C)\N=C\CC.
What is the InChIKey of N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine?
The InChIKey is WOQUWYKVFCGIIV-FALSCNNPSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-8-12(3)10-15(5)11-13(4)14-9-7-2/h6,8-9,11H,3,7,10H2,1-2,4-5H3/b8-6?,13-11-,14-9+.
What are the key properties of N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine?
N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine is sourced from PubChem (CID 123320059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).