1-(2-methylpropylamino)pentan-2-one

C9H19NO — CID 58806853

IUPAC1-(2-methylpropylamino)pentan-2-one
SMILESCCCC(=O)CNCC(C)C
InChIInChI=1S/C9H19NO/c1-4-5-9(11)7-10-6-8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyUSCLDYUAWDUWFZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.60
Rot. Bonds6

About 1-(2-methylpropylamino)pentan-2-one

1-(2-methylpropylamino)pentan-2-one (PubChem CID 58806853) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(2-methylpropylamino)pentan-2-one.

Molecular Properties

Compound Name1-(2-methylpropylamino)pentan-2-one
PubChem CID58806853
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(2-methylpropylamino)pentan-2-one
SMILESCCCC(=O)CNCC(C)C
InChIInChI=1S/C9H19NO/c1-4-5-9(11)7-10-6-8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyUSCLDYUAWDUWFZ-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-5-methylhexan-2-one
CID 116562437
N-(2-oxopentyl)formamide
CID 57147830
methyl 2-(2-methylpropylamino)acetate
CID 22175789
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
octyl 2-(2-methylpropylamino)acetate
CID 63065599
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
CID 139446842
CID 175939227
CID 175939227
2-methyl-N-propylpropan-1-amine
CID 520943
2-methylpropan-1-ol;bis(3-oxohexanoate);titanium(2+)
CID 88509889
bis(2-methylpropan-1-ol);bis(3-oxohexanoate);titanium(2+)
CID 87233903
2-methylpropyl 3-oxohexanoate
CID 162232006
2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
CID 20518350

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)pentan-2-one?
The IUPAC name of 1-(2-methylpropylamino)pentan-2-one (CID 58806853) is 1-(2-methylpropylamino)pentan-2-one.
What is the SMILES notation for 1-(2-methylpropylamino)pentan-2-one?
The canonical SMILES for 1-(2-methylpropylamino)pentan-2-one is CCCC(=O)CNCC(C)C.
What is the InChIKey of 1-(2-methylpropylamino)pentan-2-one?
The InChIKey is USCLDYUAWDUWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-9(11)7-10-6-8(2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(2-methylpropylamino)pentan-2-one?
1-(2-methylpropylamino)pentan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)pentan-2-one is sourced from PubChem (CID 58806853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).