N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane

C17H42N2O — CID 167519800

IUPACN-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane
SMILESCC.CCC.CCCCNCCCCCN(C)C(C)=O.[H][H]
InChIInChI=1S/C12H26N2O.C3H8.C2H6.H2/c1-4-5-9-13-10-7-6-8-11-14(3)12(2)15;1-3-2;1-2;/h13H,4-11H2,1-3H3;3H2,1-2H3;1-2H3;1H
InChIKeyLJVFCPMRMOTPJE-UHFFFAOYSA-N
MW290.54 g/mol
LogP4.71
Rot. Bonds9

About N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane

N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane (PubChem CID 167519800) has the molecular formula C17H42N2O and a molecular weight of 290.54 g/mol. Its IUPAC name is N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane.

Molecular Properties

Compound NameN-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane
PubChem CID167519800
Molecular FormulaC17H42N2O
Molecular Weight290.54 g/mol
Exact Mass290.33
IUPAC NameN-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane
SMILESCC.CCC.CCCCNCCCCCN(C)C(C)=O.[H][H]
InChIInChI=1S/C12H26N2O.C3H8.C2H6.H2/c1-4-5-9-13-10-7-6-8-11-14(3)12(2)15;1-3-2;1-2;/h13H,4-11H2,1-3H3;3H2,1-2H3;1-2H3;1H
InChIKeyLJVFCPMRMOTPJE-UHFFFAOYSA-N
XLogP4.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-N-octylacetamide
CID 142531459
N-decyl-N-methylacetamide
CID 22114742
N-butyl-N-methylacetamide;ethane
CID 142088805
N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen
CID 142122346
N-methyl-N-[2-(propylamino)ethyl]acetamide
CID 21337705
N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide
CID 169077270
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide
CID 10714096
N-butyl-N-[5-(butylamino)pentyl]propanamide
CID 142121020
2-[acetyl(methyl)amino]-N-dodecylacetamide
CID 154143762
2-[acetyl(methyl)amino]-N-hexylacetamide
CID 71897485
dihexylcarbamic acid;N-hexylhexan-1-amine
CID 174945078

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane?
The IUPAC name of N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane (CID 167519800) is N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane.
What is the SMILES notation for N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane?
The canonical SMILES for N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane is CC.CCC.CCCCNCCCCCN(C)C(C)=O.[H][H].
What is the InChIKey of N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane?
The InChIKey is LJVFCPMRMOTPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.C3H8.C2H6.H2/c1-4-5-9-13-10-7-6-8-11-14(3)12(2)15;1-3-2;1-2;/h13H,4-11H2,1-3H3;3H2,1-2H3;1-2H3;1H.
What are the key properties of N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane?
N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane has a molecular weight of 290.54 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane is sourced from PubChem (CID 167519800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).