(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine

C11H20N2 — CID 178170621

IUPAC(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine
SMILESC/N=C(C)/C(C)=C(\C)N1CCCC1
InChIInChI=1S/C11H20N2/c1-9(10(2)12-4)11(3)13-7-5-6-8-13/h5-8H2,1-4H3/b11-9+,12-10+
InChIKeyDDPNVWZAHQVDOM-WGDLNXRISA-N
MW180.29 g/mol
LogP2.47
Rot. Bonds2

About (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine

(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine (PubChem CID 178170621) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine
PubChem CID178170621
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine
SMILESC/N=C(C)/C(C)=C(\C)N1CCCC1
InChIInChI=1S/C11H20N2/c1-9(10(2)12-4)11(3)13-7-5-6-8-13/h5-8H2,1-4H3/b11-9+,12-10+
InChIKeyDDPNVWZAHQVDOM-WGDLNXRISA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium
CID 134894730
(Z)-N,3-dimethyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 90213447
3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine
CID 123250661
3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole
CID 131997938
(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane
CID 178170620
(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane
CID 178170753
N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine
CID 178171427
(4E)-4-butan-2-ylidene-1-methyl-N-propylpyrrolidin-3-imine
CID 144192477
(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine
CID 161375572
(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine
CID 178170754

Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine?
The IUPAC name of (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine (CID 178170621) is (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine.
What is the SMILES notation for (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine?
The canonical SMILES for (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine is C/N=C(C)/C(C)=C(\C)N1CCCC1.
What is the InChIKey of (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine?
The InChIKey is DDPNVWZAHQVDOM-WGDLNXRISA-N. The full InChI is InChI=1S/C11H20N2/c1-9(10(2)12-4)11(3)13-7-5-6-8-13/h5-8H2,1-4H3/b11-9+,12-10+.
What are the key properties of (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine?
(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine has a molecular weight of 180.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine is sourced from PubChem (CID 178170621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).