(E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine

C11H20N2 — CID 143093208

IUPAC(E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine
SMILESC/C=C(C)\C=N/C(=C/CCC)NC
InChIInChI=1S/C11H20N2/c1-5-7-8-11(12-4)13-9-10(3)6-2/h6,8-9,12H,5,7H2,1-4H3/b10-6-,11-8+,13-9-
InChIKeyAQUSFWWMZZDVFW-APXQOUGYSA-N
MW180.29 g/mol
LogP2.88
Rot. Bonds5

About (E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine

(E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine (PubChem CID 143093208) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine
PubChem CID143093208
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine
SMILESC/C=C(C)\C=N/C(=C/CCC)NC
InChIInChI=1S/C11H20N2/c1-5-7-8-11(12-4)13-9-10(3)6-2/h6,8-9,12H,5,7H2,1-4H3/b10-6-,11-8+,13-9-
InChIKeyAQUSFWWMZZDVFW-APXQOUGYSA-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'}

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Related Compounds

5-ethyl-2-methylidene-1H-pyrimidine
CID 57672212
(Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine
CID 89153792
ethane;2-ethyl-N-methyl-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
CID 141904448
(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]-N,2-dimethylbut-1-en-1-amine
CID 142119780
N,6-dimethyl-3-prop-2-enyl-4H-azepin-2-amine
CID 143711834
ethene;N-ethyl-3,6-dimethyl-4H-azepin-2-amine
CID 143712104
(Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine
CID 143718084
(1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine
CID 143940433
N-[1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]ethenyl]butan-1-amine
CID 144304446
ethane;N-ethyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine;propane
CID 168223633
Ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine
CID 170645003
(Z)-2-[1-(dimethylamino)ethenyliminomethyl]but-1-en-1-amine
CID 173472408

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine?
The IUPAC name of (E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine (CID 143093208) is (E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine.
What is the SMILES notation for (E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine?
The canonical SMILES for (E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine is C/C=C(C)\C=N/C(=C/CCC)NC.
What is the InChIKey of (E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine?
The InChIKey is AQUSFWWMZZDVFW-APXQOUGYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-8-11(12-4)13-9-10(3)6-2/h6,8-9,12H,5,7H2,1-4H3/b10-6-,11-8+,13-9-.
What are the key properties of (E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine?
(E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-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 (E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine is sourced from PubChem (CID 143093208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).