2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one

C15H30N2O — CID 114281945

IUPAC2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(C)C(CC(CN)C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)14(12(3)4)9-13(10-16)15(18)17-7-5-6-8-17/h11-14H,5-10,16H2,1-4H3
InChIKeyPSJMWROUFJPPFI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.50
Rot. Bonds6

About 2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one

2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 114281945) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one
PubChem CID114281945
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(C)C(CC(CN)C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)14(12(3)4)9-13(10-16)15(18)17-7-5-6-8-17/h11-14H,5-10,16H2,1-4H3
InChIKeyPSJMWROUFJPPFI-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 107470882
2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
CID 62314874
2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
CID 114207905
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one
CID 81200817
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 66226966
2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 107471478
(2S)-2-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 71425574
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one
CID 66131489

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one (CID 114281945) is 2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one is CC(C)C(CC(CN)C(=O)N1CCCC1)C(C)C.
What is the InChIKey of 2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is PSJMWROUFJPPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(2)14(12(3)4)9-13(10-16)15(18)17-7-5-6-8-17/h11-14H,5-10,16H2,1-4H3.
What are the key properties of 2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one?
2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 114281945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).