(2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine

C11H20N2 — CID 142593526

IUPAC(2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)N1CCCC1
InChIInChI=1S/C11H20N2/c1-11(7-6-8-12(2)3)13-9-4-5-10-13/h6-7H,1,4-5,8-10H2,2-3H3/b7-6+
InChIKeyCTNKXWPLEPVFSV-VOTSOKGWSA-N
MW180.29 g/mol
LogP1.71
Rot. Bonds4

About (2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine

(2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine (PubChem CID 142593526) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine
PubChem CID142593526
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)N1CCCC1
InChIInChI=1S/C11H20N2/c1-11(7-6-8-12(2)3)13-9-4-5-10-13/h6-7H,1,4-5,8-10H2,2-3H3/b7-6+
InChIKeyCTNKXWPLEPVFSV-VOTSOKGWSA-N
XLogP1.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine
CID 139338168
1-[4-(dimethylamino)but-2-enoyl]piperidine-3-carboxylic acid
CID 138491070
(3Z)-5-(azetidin-1-yl)-N-ethenyl-N-methylhexa-3,5-dien-2-amine
CID 118612553
(1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine
CID 88931597
tert-butyl N-methylcarbamate;(E)-4-(dimethylamino)-1-pyrrolidin-1-ylbut-2-en-1-one
CID 178119946
lithium 1-[(E)-4-(dimethylamino)but-2-enoyl]piperidine-4-carboxylate
CID 142547771
1-[(E)-4-(dimethylamino)but-2-enoyl]piperidine-4-carbaldehyde
CID 166115709
1-[(5aR,9aR)-7-acetyl-3,4,5,5a,6,8,9,9a-octahydro-2H-pyrido[4,3-b]azepin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 171147165
(2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine
CID 174293606
N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide
CID 155371491
N-methyl-1-piperidin-1-yl-N-(1-piperidin-1-ylethenyl)ethenamine
CID 90055868
(E)-4-(dimethylamino)-1-[3-ethyl-3-(3-methylbutan-2-yl)piperidin-1-yl]but-2-en-1-one
CID 169182809

Frequently Asked Questions

What is the IUPAC name of (2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine (CID 142593526) is (2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine is C=C(/C=C/CN(C)C)N1CCCC1.
What is the InChIKey of (2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine?
The InChIKey is CTNKXWPLEPVFSV-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20N2/c1-11(7-6-8-12(2)3)13-9-4-5-10-13/h6-7H,1,4-5,8-10H2,2-3H3/b7-6+.
What are the key properties of (2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine?
(2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142593526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).