4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine

C17H28N2 — CID 114929839

IUPAC4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
SMILESCC(C)C1CCN(CC(N)CCc2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-14(2)16-10-11-19(12-16)13-17(18)9-8-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13,18H2,1-2H3
InChIKeyXWRCKMDBLKKHHQ-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.92
Rot. Bonds6

About 4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine

4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine (PubChem CID 114929839) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
PubChem CID114929839
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
SMILESCC(C)C1CCN(CC(N)CCc2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-14(2)16-10-11-19(12-16)13-17(18)9-8-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13,18H2,1-2H3
InChIKeyXWRCKMDBLKKHHQ-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929474
4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
CID 114929692
1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
CID 114929701
1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929481
1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
CID 114929756
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
CID 114929475
1-(azocan-1-yl)-4-phenylbutan-2-amine
CID 114929504
1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 114058299
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
CID 82390240
1-(2-cyclopentylpyrrolidin-1-yl)-4-phenylbutan-2-amine
CID 114929669

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine?
The IUPAC name of 4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine (CID 114929839) is 4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine.
What is the SMILES notation for 4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine?
The canonical SMILES for 4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine is CC(C)C1CCN(CC(N)CCc2ccccc2)C1.
What is the InChIKey of 4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine?
The InChIKey is XWRCKMDBLKKHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)16-10-11-19(12-16)13-17(18)9-8-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13,18H2,1-2H3.
What are the key properties of 4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine?
4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine has a molecular weight of 260.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine is sourced from PubChem (CID 114929839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).