N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine

C19H32N2 — CID 79059314

IUPACN,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1ccc(C(C)C)cc1)N1CCCC1
InChIInChI=1S/C19H32N2/c1-6-19(4,21-13-7-8-14-21)18(20-5)17-11-9-16(10-12-17)15(2)3/h9-12,15,18,20H,6-8,13-14H2,1-5H3
InChIKeyYRKNYIXBPRSIKW-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.34
Rot. Bonds6

About N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine

N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79059314) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79059314
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1ccc(C(C)C)cc1)N1CCCC1
InChIInChI=1S/C19H32N2/c1-6-19(4,21-13-7-8-14-21)18(20-5)17-11-9-16(10-12-17)15(2)3/h9-12,15,18,20H,6-8,13-14H2,1-5H3
InChIKeyYRKNYIXBPRSIKW-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069276
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068490
1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059844
[1-(4-ethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241199
[1-(4-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241337
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79739109
N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine
CID 79065903
1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79064925
1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
CID 79065335

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine (CID 79059314) is N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(NC)c1ccc(C(C)C)cc1)N1CCCC1.
What is the InChIKey of N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is YRKNYIXBPRSIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-19(4,21-13-7-8-14-21)18(20-5)17-11-9-16(10-12-17)15(2)3/h9-12,15,18,20H,6-8,13-14H2,1-5H3.
What are the key properties of N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine?
N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79059314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).