2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one

C14H29N3O — CID 81491160

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)C(N)CCN(C)C(C)C(=O)N1CCCC1
InChIInChI=1S/C14H29N3O/c1-11(2)13(15)7-10-16(4)12(3)14(18)17-8-5-6-9-17/h11-13H,5-10,15H2,1-4H3
InChIKeyKSTPKSOGDUGMCW-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds6

About 2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one

2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 81491160) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID81491160
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)C(N)CCN(C)C(C)C(=O)N1CCCC1
InChIInChI=1S/C14H29N3O/c1-11(2)13(15)7-10-16(4)12(3)14(18)17-8-5-6-9-17/h11-13H,5-10,15H2,1-4H3
InChIKeyKSTPKSOGDUGMCW-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60683953
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-methylamino]butanoic acid
CID 55005650
N,N-dimethyl-2-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetamide
CID 78809290
2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide
CID 81491323
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide
CID 115317691
N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
CID 119660200
N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119661450
2-[bis(2-chloroethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 3064207
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441971
2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one
CID 61350499
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 81491160) is 2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one is CC(C)C(N)CCN(C)C(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KSTPKSOGDUGMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)13(15)7-10-16(4)12(3)14(18)17-8-5-6-9-17/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 81491160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).