(4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine

C14H23N3 — CID 143723284

IUPAC(4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=C[C@H](C)CC=C1NCCN1CCCC1
InChIInChI=1S/C14H23N3/c1-12-4-5-14(13(10-12)11-15)16-6-9-17-7-2-3-8-17/h5,10-12,15-16H,2-4,6-9H2,1H3/b15-11+/t12-/m1/s1
InChIKeyRWTNIVMLUNFVSF-PKVLTRFUSA-N
MW233.36 g/mol
LogP2.17
Rot. Bonds5

About (4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine

(4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 143723284) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine
PubChem CID143723284
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=C[C@H](C)CC=C1NCCN1CCCC1
InChIInChI=1S/C14H23N3/c1-12-4-5-14(13(10-12)11-15)16-6-9-17-7-2-3-8-17/h5,10-12,15-16H,2-4,6-9H2,1H3/b15-11+/t12-/m1/s1
InChIKeyRWTNIVMLUNFVSF-PKVLTRFUSA-N
XLogP2.17
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydropyridin-5-yl)ethyl]-4-methylcyclohexa-1,5-dien-1-amine
CID 89503221
3-methyl-5-methylimino-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]penta-1,3-dien-2-amine
CID 123374901
2-(6-Methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine
CID 123793267
2-methyl-N-[(Z)-1-pyrrolidin-3-ylprop-1-enyl]prop-2-en-1-imine
CID 144102680
3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine
CID 146342679
2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
CID 167098639
1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine
CID 174304258

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of (4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine (CID 143723284) is (4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for (4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine is [H]/N=C/C1=C[C@H](C)CC=C1NCCN1CCCC1.
What is the InChIKey of (4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is RWTNIVMLUNFVSF-PKVLTRFUSA-N. The full InChI is InChI=1S/C14H23N3/c1-12-4-5-14(13(10-12)11-15)16-6-9-17-7-2-3-8-17/h5,10-12,15-16H,2-4,6-9H2,1H3/b15-11+/t12-/m1/s1.
What are the key properties of (4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine?
(4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methanimidoyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143723284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).