dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium

C15H29N2+ — CID 134894730

IUPACdimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium
SMILESCC(C)/C(C=[N+](C)C)=C(\C(C)C)N1CCCC1
InChIInChI=1S/C15H29N2/c1-12(2)14(11-16(5)6)15(13(3)4)17-9-7-8-10-17/h11-13H,7-10H2,1-6H3/q+1
InChIKeyYRIBUNWACCHKKJ-UHFFFAOYSA-N
MW237.41 g/mol
LogP2.99
Rot. Bonds4

About dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium

dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium (PubChem CID 134894730) has the molecular formula C15H29N2+ and a molecular weight of 237.41 g/mol. Its IUPAC name is dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium
PubChem CID134894730
Molecular FormulaC15H29N2+
Molecular Weight237.41 g/mol
Exact Mass237.23
IUPAC Namedimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium
SMILESCC(C)/C(C=[N+](C)C)=C(\C(C)C)N1CCCC1
InChIInChI=1S/C15H29N2/c1-12(2)14(11-16(5)6)15(13(3)4)17-9-7-8-10-17/h11-13H,7-10H2,1-6H3/q+1
InChIKeyYRIBUNWACCHKKJ-UHFFFAOYSA-N
XLogP2.99
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]-4H-azepine
CID 134406188
N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine
CID 174328684
N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine
CID 174356191
(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane
CID 178170620
1,3,4-trimethyl-5-propan-2-yl-3H-pyrrol-1-ium
CID 160417702
(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine
CID 178170621

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium?
The IUPAC name of dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium (CID 134894730) is dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium.
What is the SMILES notation for dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium?
The canonical SMILES for dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium is CC(C)/C(C=[N+](C)C)=C(\C(C)C)N1CCCC1.
What is the InChIKey of dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium?
The InChIKey is YRIBUNWACCHKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N2/c1-12(2)14(11-16(5)6)15(13(3)4)17-9-7-8-10-17/h11-13H,7-10H2,1-6H3/q+1.
What are the key properties of dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium?
dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium has a molecular weight of 237.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium is sourced from PubChem (CID 134894730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).