1-[pentyl(propan-2-yl)amino]pentan-2-one

C13H27NO — CID 62043113

IUPAC1-[pentyl(propan-2-yl)amino]pentan-2-one
SMILESCCCCCN(CC(=O)CCC)C(C)C
InChIInChI=1S/C13H27NO/c1-5-7-8-10-14(12(3)4)11-13(15)9-6-2/h12H,5-11H2,1-4H3
InChIKeyYAPDJQRTDRBYPE-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.26
Rot. Bonds9

About 1-[pentyl(propan-2-yl)amino]pentan-2-one

1-[pentyl(propan-2-yl)amino]pentan-2-one (PubChem CID 62043113) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[pentyl(propan-2-yl)amino]pentan-2-one.

Molecular Properties

Compound Name1-[pentyl(propan-2-yl)amino]pentan-2-one
PubChem CID62043113
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[pentyl(propan-2-yl)amino]pentan-2-one
SMILESCCCCCN(CC(=O)CCC)C(C)C
InChIInChI=1S/C13H27NO/c1-5-7-8-10-14(12(3)4)11-13(15)9-6-2/h12H,5-11H2,1-4H3
InChIKeyYAPDJQRTDRBYPE-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
5-[pentyl(propan-2-yl)amino]pentanehydrazide
CID 55214628
lithium 4-[di(nonadecyl)amino]pentanoate
CID 101314270
lithium 4-(didodecylamino)pentanoate
CID 101314130
2,2-dimethyl-3-[pentyl(propan-2-yl)amino]propanoic acid
CID 62271230
lithium 4-[di(nonyl)amino]pentanoate
CID 101314070
4-[[2-(heptan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834905
N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide
CID 52664415
2-[di(undecyl)amino]propanoic acid
CID 101313686
(2S)-2-(didecylamino)propanoic acid
CID 54553800
4-[di(docosyl)amino]pentanoic acid
CID 101314329

Frequently Asked Questions

What is the IUPAC name of 1-[pentyl(propan-2-yl)amino]pentan-2-one?
The IUPAC name of 1-[pentyl(propan-2-yl)amino]pentan-2-one (CID 62043113) is 1-[pentyl(propan-2-yl)amino]pentan-2-one.
What is the SMILES notation for 1-[pentyl(propan-2-yl)amino]pentan-2-one?
The canonical SMILES for 1-[pentyl(propan-2-yl)amino]pentan-2-one is CCCCCN(CC(=O)CCC)C(C)C.
What is the InChIKey of 1-[pentyl(propan-2-yl)amino]pentan-2-one?
The InChIKey is YAPDJQRTDRBYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-8-10-14(12(3)4)11-13(15)9-6-2/h12H,5-11H2,1-4H3.
What are the key properties of 1-[pentyl(propan-2-yl)amino]pentan-2-one?
1-[pentyl(propan-2-yl)amino]pentan-2-one has a molecular weight of 213.36 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pentyl(propan-2-yl)amino]pentan-2-one is sourced from PubChem (CID 62043113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).