ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide

C15H31N4OP — CID 153389003

IUPACethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide
SMILESCC.CCc1cn(CCCNC(=O)CCCCCP)nn1
InChIInChI=1S/C13H25N4OP.C2H6/c1-2-12-11-17(16-15-12)9-6-8-14-13(18)7-4-3-5-10-19;1-2/h11H,2-10,19H2,1H3,(H,14,18);1-2H3
InChIKeyPKDHDCNAOATCJG-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.81
Rot. Bonds10

About ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide

ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide (PubChem CID 153389003) has the molecular formula C15H31N4OP and a molecular weight of 314.41 g/mol. Its IUPAC name is ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide.

Molecular Properties

Compound Nameethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide
PubChem CID153389003
Molecular FormulaC15H31N4OP
Molecular Weight314.41 g/mol
Exact Mass314.22
IUPAC Nameethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide
SMILESCC.CCc1cn(CCCNC(=O)CCCCCP)nn1
InChIInChI=1S/C13H25N4OP.C2H6/c1-2-12-11-17(16-15-12)9-6-8-14-13(18)7-4-3-5-10-19;1-2/h11H,2-10,19H2,1H3,(H,14,18);1-2H3
InChIKeyPKDHDCNAOATCJG-UHFFFAOYSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
CID 169190126
CID 169190126
3-[3-[4-(methoxymethyl)triazol-1-yl]propylamino]-3-oxopropane-1-thiolate
CID 144515281
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
CID 163400080
N-butyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055237
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[[1-[(Z)-octadec-9-enyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]propanoylamino]ethyl]amino]propanamide
CID 170389597
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine
CID 146611459
ethane;3-methyl-N-[4-(4-propyltriazol-1-yl)butyl]butanamide;10-[4-(2-methylpropyl)triazol-1-yl]decan-3-one
CID 164535699
3-[4-(methylaminomethyl)triazol-1-yl]propylurea
CID 156794759
9-(1-decyltriazol-4-yl)nonyl 3,5-bis[6-(hexylamino)-6-oxohexoxy]benzoate
CID 101476796

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide?
The IUPAC name of ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide (CID 153389003) is ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide.
What is the SMILES notation for ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide?
The canonical SMILES for ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide is CC.CCc1cn(CCCNC(=O)CCCCCP)nn1.
What is the InChIKey of ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide?
The InChIKey is PKDHDCNAOATCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N4OP.C2H6/c1-2-12-11-17(16-15-12)9-6-8-14-13(18)7-4-3-5-10-19;1-2/h11H,2-10,19H2,1H3,(H,14,18);1-2H3.
What are the key properties of ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide?
ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide has a molecular weight of 314.41 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide is sourced from PubChem (CID 153389003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).