2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one

C13H26N2O — CID 143475334

IUPAC2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one
SMILESCCCC(CCC)C(N)C(=O)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-7-11(8-4-2)12(14)13(16)15-9-5-6-10-15/h11-12H,3-10,14H2,1-2H3
InChIKeyFIFJWLMTANTJBW-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds6

About 2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one

2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 143475334) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one
PubChem CID143475334
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one
SMILESCCCC(CCC)C(N)C(=O)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-7-11(8-4-2)12(14)13(16)15-9-5-6-10-15/h11-12H,3-10,14H2,1-2H3
InChIKeyFIFJWLMTANTJBW-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromohexanoate
CID 86655157
1-(azetidin-1-yl)-2-ethylpentan-1-one
CID 146417085
2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119297853
2-amino-3-hexoxy-1-pyrrolidin-1-ylbutan-1-one
CID 21252062
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652
(2R)-2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)pentan-1-one
CID 103796728
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one (CID 143475334) is 2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one is CCCC(CCC)C(N)C(=O)N1CCCC1.
What is the InChIKey of 2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is FIFJWLMTANTJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-7-11(8-4-2)12(14)13(16)15-9-5-6-10-15/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one?
2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 143475334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).