1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine

C19H38N2 — CID 20664547

IUPAC1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine
SMILESCC1CN(C(C)(C)C(C)C)CC1CN1CCC(C)(C)CC1
InChIInChI=1S/C19H38N2/c1-15(2)19(6,7)21-12-16(3)17(14-21)13-20-10-8-18(4,5)9-11-20/h15-17H,8-14H2,1-7H3
InChIKeyQEFBRAUFVQVZRP-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.11
Rot. Bonds4

About 1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine

1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine (PubChem CID 20664547) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine
PubChem CID20664547
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine
SMILESCC1CN(C(C)(C)C(C)C)CC1CN1CCC(C)(C)CC1
InChIInChI=1S/C19H38N2/c1-15(2)19(6,7)21-12-16(3)17(14-21)13-20-10-8-18(4,5)9-11-20/h15-17H,8-14H2,1-7H3
InChIKeyQEFBRAUFVQVZRP-UHFFFAOYSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 20664177
2-[(4,4-dimethylpiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63495442
2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine
CID 65281870
1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol
CID 114449017
2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 65281770
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
CID 63715030
4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane
CID 144941414
4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane
CID 142891140
2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane
CID 90167869
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63159689
5-(4,4-dimethylpiperidin-1-yl)pentan-2-amine
CID 62935849

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine (CID 20664547) is 1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine is CC1CN(C(C)(C)C(C)C)CC1CN1CCC(C)(C)CC1.
What is the InChIKey of 1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine?
The InChIKey is QEFBRAUFVQVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15(2)19(6,7)21-12-16(3)17(14-21)13-20-10-8-18(4,5)9-11-20/h15-17H,8-14H2,1-7H3.
What are the key properties of 1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine?
1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine has a molecular weight of 294.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,3-dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine is sourced from PubChem (CID 20664547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).