1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

C9H18N2O — CID 58333551

IUPAC1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1CN
InChIInChI=1S/C9H18N2O/c1-7(2)9(12)11-5-3-4-8(11)6-10/h7-8H,3-6,10H2,1-2H3
InChIKeyCXGITYJCWBQXQB-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds2

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 58333551) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID58333551
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1CN
InChIInChI=1S/C9H18N2O/c1-7(2)9(12)11-5-3-4-8(11)6-10/h7-8H,3-6,10H2,1-2H3
InChIKeyCXGITYJCWBQXQB-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81482767
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one;hydrochloride
CID 119631035
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
CID 119466546
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
1-[2-(2-aminooxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 82040224
1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119466300
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 82503098

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 58333551) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is CXGITYJCWBQXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)9(12)11-5-3-4-8(11)6-10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 58333551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).