N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline

C19H24N2 — CID 103276432

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline
SMILESCC1=CC(C)CC(CNc2cccc(-n3cccc3)c2)C1
InChIInChI=1S/C19H24N2/c1-15-10-16(2)12-17(11-15)14-20-18-6-5-7-19(13-18)21-8-3-4-9-21/h3-10,13,15,17,20H,11-12,14H2,1-2H3
InChIKeySMGUZWBVMLAINT-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.88
Rot. Bonds4

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline (PubChem CID 103276432) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline
PubChem CID103276432
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline
SMILESCC1=CC(C)CC(CNc2cccc(-n3cccc3)c2)C1
InChIInChI=1S/C19H24N2/c1-15-10-16(2)12-17(11-15)14-20-18-6-5-7-19(13-18)21-8-3-4-9-21/h3-10,13,15,17,20H,11-12,14H2,1-2H3
InChIKeySMGUZWBVMLAINT-UHFFFAOYSA-N
XLogP4.88
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 103276314
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 103275963
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-nitroaniline
CID 103276362
N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
CID 43733000
N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
CID 62656928
2-chloro-4-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 103276592
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 103276582
4-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-iodoaniline
CID 114259615
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 103276646
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-fluoro-4-methoxyaniline
CID 103276193
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine
CID 103276099
N-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]methanesulfonamide
CID 103276401

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline (CID 103276432) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline is CC1=CC(C)CC(CNc2cccc(-n3cccc3)c2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline?
The InChIKey is SMGUZWBVMLAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15-10-16(2)12-17(11-15)14-20-18-6-5-7-19(13-18)21-8-3-4-9-21/h3-10,13,15,17,20H,11-12,14H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline has a molecular weight of 280.42 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline is sourced from PubChem (CID 103276432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).