1-[5-aminopentyl(methyl)amino]propan-2-one

C9H20N2O — CID 58052223

IUPAC1-[5-aminopentyl(methyl)amino]propan-2-one
SMILESCC(=O)CN(C)CCCCCN
InChIInChI=1S/C9H20N2O/c1-9(12)8-11(2)7-5-3-4-6-10/h3-8,10H2,1-2H3
InChIKeyCHYSPMVQUZDPDP-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.64
Rot. Bonds7

About 1-[5-aminopentyl(methyl)amino]propan-2-one

1-[5-aminopentyl(methyl)amino]propan-2-one (PubChem CID 58052223) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[5-aminopentyl(methyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[5-aminopentyl(methyl)amino]propan-2-one
PubChem CID58052223
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[5-aminopentyl(methyl)amino]propan-2-one
SMILESCC(=O)CN(C)CCCCCN
InChIInChI=1S/C9H20N2O/c1-9(12)8-11(2)7-5-3-4-6-10/h3-8,10H2,1-2H3
InChIKeyCHYSPMVQUZDPDP-UHFFFAOYSA-N
XLogP0.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838
2-[4-aminobutyl(methyl)amino]acetic acid;azane
CID 172717710
2-[4-aminobutyl(methyl)amino]-N-methylacetamide
CID 43374665
1-[butyl(methyl)amino]propan-2-one
CID 43219631
2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
CID 61453098
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
2-[methyl(tridecyl)amino]acetamide
CID 175737609
2-[5-aminopentyl(methyl)amino]-N-phenylacetamide
CID 107207153
6-aminohexyl(carboxy)carbamic acid
CID 175058839
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849

Frequently Asked Questions

What is the IUPAC name of 1-[5-aminopentyl(methyl)amino]propan-2-one?
The IUPAC name of 1-[5-aminopentyl(methyl)amino]propan-2-one (CID 58052223) is 1-[5-aminopentyl(methyl)amino]propan-2-one.
What is the SMILES notation for 1-[5-aminopentyl(methyl)amino]propan-2-one?
The canonical SMILES for 1-[5-aminopentyl(methyl)amino]propan-2-one is CC(=O)CN(C)CCCCCN.
What is the InChIKey of 1-[5-aminopentyl(methyl)amino]propan-2-one?
The InChIKey is CHYSPMVQUZDPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(12)8-11(2)7-5-3-4-6-10/h3-8,10H2,1-2H3.
What are the key properties of 1-[5-aminopentyl(methyl)amino]propan-2-one?
1-[5-aminopentyl(methyl)amino]propan-2-one has a molecular weight of 172.27 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-aminopentyl(methyl)amino]propan-2-one is sourced from PubChem (CID 58052223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).