1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine

C19H32N2 — CID 79059308

IUPAC1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCc1ccc(CC(NC)C(C)(CC)N2CCCC2)cc1
InChIInChI=1S/C19H32N2/c1-5-16-9-11-17(12-10-16)15-18(20-4)19(3,6-2)21-13-7-8-14-21/h9-12,18,20H,5-8,13-15H2,1-4H3
InChIKeyRIBVEAUIXJDVCB-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.64
Rot. Bonds7

About 1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine

1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine (PubChem CID 79059308) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
PubChem CID79059308
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCc1ccc(CC(NC)C(C)(CC)N2CCCC2)cc1
InChIInChI=1S/C19H32N2/c1-5-16-9-11-17(12-10-16)15-18(20-4)19(3,6-2)21-13-7-8-14-21/h9-12,18,20H,5-8,13-15H2,1-4H3
InChIKeyRIBVEAUIXJDVCB-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 79060487
1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068652
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
N,3-dimethyl-1-(1-methylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79068880
1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060075
N,3-dimethyl-3-piperidin-1-yl-1-thiophen-2-ylpentan-2-amine
CID 79065597
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 104802967
[1-(4-ethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241199
1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79063641
N,3,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79065446
3-(azepan-1-yl)-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 79050927

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine (CID 79059308) is 1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine is CCc1ccc(CC(NC)C(C)(CC)N2CCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is RIBVEAUIXJDVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-16-9-11-17(12-10-16)15-18(20-4)19(3,6-2)21-13-7-8-14-21/h9-12,18,20H,5-8,13-15H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine?
1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 79059308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).