(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine

C11H20N2 — CID 143838514

IUPAC(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
SMILESCC/C=C\C(C)=C(\N=C/CC)NC
InChIInChI=1S/C11H20N2/c1-5-7-8-10(3)11(12-4)13-9-6-2/h7-9,12H,5-6H2,1-4H3/b8-7-,11-10+,13-9-
InChIKeyLAYWYRWXHBEHQS-ZNSFLOCUSA-N
MW180.29 g/mol
LogP2.88
Rot. Bonds5

About (1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine

(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine (PubChem CID 143838514) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
PubChem CID143838514
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
SMILESCC/C=C\C(C)=C(\N=C/CC)NC
InChIInChI=1S/C11H20N2/c1-5-7-8-10(3)11(12-4)13-9-6-2/h7-9,12H,5-6H2,1-4H3/b8-7-,11-10+,13-9-
InChIKeyLAYWYRWXHBEHQS-ZNSFLOCUSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.88
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 (1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(E)-pent-2-en-2-yl]propan-1-imine
CID 147192367
N'-(methylamino)-N-propylideneethanimidamide
CID 166794692
(1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine
CID 167045869
(Z)-2-(propylideneamino)prop-1-ene-1-thiol
CID 170975270
acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene
CID 142928333
[[(Z)-hex-3-en-2-ylidene]amino]methanol
CID 123158679
1,3-di(propylidene)guanidine
CID 174857851
propylidenethiourea
CID 57195256
ethane;(4Z)-2-methylhepta-2,4-dien-3-amine
CID 145261279
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(5Z,7Z)-N,N,6-trimethyldeca-5,7-dien-5-amine
CID 134424615
N-[(Z)-5-methylhex-2-en-2-yl]propan-1-imine
CID 135192518

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine (CID 143838514) is (1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine is CC/C=C\C(C)=C(\N=C/CC)NC.
What is the InChIKey of (1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine?
The InChIKey is LAYWYRWXHBEHQS-ZNSFLOCUSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-8-10(3)11(12-4)13-9-6-2/h7-9,12H,5-6H2,1-4H3/b8-7-,11-10+,13-9-.
What are the key properties of (1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine?
(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine is sourced from PubChem (CID 143838514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).