(Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine

C11H19N3 — CID 135213426

IUPAC(Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine
SMILESC/C=C1/CN(C(C)C)C/C1=N\C=C/N
InChIInChI=1S/C11H19N3/c1-4-10-7-14(9(2)3)8-11(10)13-6-5-12/h4-6,9H,7-8,12H2,1-3H3/b6-5-,10-4-,13-11+
InChIKeyNCRULCFNUXSMQN-BPAGQCDYSA-N
MW193.29 g/mol
LogP1.53
Rot. Bonds2

About (Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine

(Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine (PubChem CID 135213426) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine.

Molecular Properties

Compound Name(Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine
PubChem CID135213426
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine
SMILESC/C=C1/CN(C(C)C)C/C1=N\C=C/N
InChIInChI=1S/C11H19N3/c1-4-10-7-14(9(2)3)8-11(10)13-6-5-12/h4-6,9H,7-8,12H2,1-3H3/b6-5-,10-4-,13-11+
InChIKeyNCRULCFNUXSMQN-BPAGQCDYSA-N
XLogP1.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine
CID 90253958
4-methyl-4-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[3,4-b]azepine
CID 124016571
(4Z)-1-tert-butyl-N-ethenyl-4-ethylidenepyrrolidin-3-imine
CID 132163049
(4Z)-N-ethenyl-4-ethylidene-1-methylpyrrolidin-3-imine
CID 132163051
ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
CID 143154277
1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
CID 143154278
Ethane;3-methyl-4,6,7,8-tetrahydropyrrolo[3,4-b]azepine
CID 143270840
(4Z)-N-methyl-4-propylidenepyrrolidin-3-imine
CID 144066583
4-methyl-7,8-dihydro-6H-pyrrolo[3,4-b]azepin-4-amine
CID 144959595
N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine
CID 145197728
3-[(5Z)-hepta-2,5-dien-2-yl]-1-methyl-2,7-dihydro-1,4-diazepine
CID 155471393
(4Z)-N-ethyl-4-ethylidenepyrrolidin-3-imine
CID 155471819

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine?
The IUPAC name of (Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine (CID 135213426) is (Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine.
What is the SMILES notation for (Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine?
The canonical SMILES for (Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine is C/C=C1/CN(C(C)C)C/C1=N\C=C/N.
What is the InChIKey of (Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine?
The InChIKey is NCRULCFNUXSMQN-BPAGQCDYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-10-7-14(9(2)3)8-11(10)13-6-5-12/h4-6,9H,7-8,12H2,1-3H3/b6-5-,10-4-,13-11+.
What are the key properties of (Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine?
(Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine has a molecular weight of 193.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine is sourced from PubChem (CID 135213426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).