(Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine

C11H20N2 — CID 142375473

IUPAC(Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine
SMILESC=N/C(C)=C\C(=C)C(C)CNCC
InChIInChI=1S/C11H20N2/c1-6-13-8-10(3)9(2)7-11(4)12-5/h7,10,13H,2,5-6,8H2,1,3-4H3/b11-7-
InChIKeyHXFCITLPSOOVGG-XFFZJAGNSA-N
MW180.29 g/mol
LogP2.39
Rot. Bonds6

About (Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine

(Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine (PubChem CID 142375473) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine
PubChem CID142375473
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine
SMILESC=N/C(C)=C\C(=C)C(C)CNCC
InChIInChI=1S/C11H20N2/c1-6-13-8-10(3)9(2)7-11(4)12-5/h7,10,13H,2,5-6,8H2,1,3-4H3/b11-7-
InChIKeyHXFCITLPSOOVGG-XFFZJAGNSA-N
XLogP2.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.39
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'}

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Related Compounds

(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine
CID 153346119
4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine
CID 70892576
(1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine
CID 88905965
6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine
CID 89220126
(2E,4E)-8-(ethylamino)-4,6-dimethylnona-2,4,8-trienenitrile
CID 89294669
6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine
CID 89319283
N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine
CID 89336557
(3Z,4S)-N-butyl-3-ethylidene-4-methylhex-1-en-2-amine
CID 89372754
4-methyl-N-[2-(2-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethyl]cyclohexa-1,5-dien-1-amine
CID 89503214
N-[2-(2,3-dihydropyridin-5-yl)ethyl]-4-methylcyclohexa-1,5-dien-1-amine
CID 89503221
(2Z,4E,8Z,10Z)-N-cyclohexa-1,3-dien-1-yl-7-methyl-6-methylidene-1-azacycloundeca-2,4,8,10-tetraen-5-amine
CID 89530991

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine?
The IUPAC name of (Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine (CID 142375473) is (Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine is C=N/C(C)=C\C(=C)C(C)CNCC.
What is the InChIKey of (Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine?
The InChIKey is HXFCITLPSOOVGG-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-13-8-10(3)9(2)7-11(4)12-5/h7,10,13H,2,5-6,8H2,1,3-4H3/b11-7-.
What are the key properties of (Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine?
(Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine is sourced from PubChem (CID 142375473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).