acetamide;N-butylbutan-1-amine

C10H24N2O — CID 172792447

IUPACacetamide;N-butylbutan-1-amine
SMILESCC(N)=O.CCCCNCCCC
InChIInChI=1S/C8H19N.C2H5NO/c1-3-5-7-9-8-6-4-2;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H2,3,4)
InChIKeyPTGGSRPZDXAXAW-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.67
Rot. Bonds6

About acetamide;N-butylbutan-1-amine

acetamide;N-butylbutan-1-amine (PubChem CID 172792447) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is acetamide;N-butylbutan-1-amine.

Molecular Properties

Compound Nameacetamide;N-butylbutan-1-amine
PubChem CID172792447
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Nameacetamide;N-butylbutan-1-amine
SMILESCC(N)=O.CCCCNCCCC
InChIInChI=1S/C8H19N.C2H5NO/c1-3-5-7-9-8-6-4-2;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H2,3,4)
InChIKeyPTGGSRPZDXAXAW-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-2-one;N-butylbutan-1-amine
CID 161180085
N-butylbutan-1-amine;1,1-diaminourea
CID 174864896
3-(butylamino)propyl acetate
CID 82532357
acetic acid;bis(2-(butylamino)ethanol)
CID 172848833
4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
12-(hexylamino)dodecanamide
CID 174861179
6-(decylamino)hexanamide
CID 13292350
N-butylbutan-1-amine;hydrochloride
CID 3083954
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
4-(propylamino)butanamide
CID 21468794
N-butylbutan-1-amine;ethyl 2-methylprop-2-enoate
CID 158486593
acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate
CID 162327339

Frequently Asked Questions

What is the IUPAC name of acetamide;N-butylbutan-1-amine?
The IUPAC name of acetamide;N-butylbutan-1-amine (CID 172792447) is acetamide;N-butylbutan-1-amine.
What is the SMILES notation for acetamide;N-butylbutan-1-amine?
The canonical SMILES for acetamide;N-butylbutan-1-amine is CC(N)=O.CCCCNCCCC.
What is the InChIKey of acetamide;N-butylbutan-1-amine?
The InChIKey is PTGGSRPZDXAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H5NO/c1-3-5-7-9-8-6-4-2;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H2,3,4).
What are the key properties of acetamide;N-butylbutan-1-amine?
acetamide;N-butylbutan-1-amine has a molecular weight of 188.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;N-butylbutan-1-amine is sourced from PubChem (CID 172792447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).