1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine

C27H54N3OP — CID 149435497

IUPAC1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine
SMILESCCCCNC(=CP(=O)(C=C(CCC)NCCCC)C=C(CCC)NCCCC)CCC
InChIInChI=1S/C27H54N3OP/c1-7-13-19-28-25(16-10-4)22-32(31,23-26(17-11-5)29-20-14-8-2)24-27(18-12-6)30-21-15-9-3/h22-24,28-30H,7-21H2,1-6H3
InChIKeyXJHLRFNMCOPIRK-UHFFFAOYSA-N
MW467.72 g/mol
LogP8.44
Rot. Bonds21

About 1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine

1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine (PubChem CID 149435497) has the molecular formula C27H54N3OP and a molecular weight of 467.72 g/mol. Its IUPAC name is 1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine.

Molecular Properties

Compound Name1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine
PubChem CID149435497
Molecular FormulaC27H54N3OP
Molecular Weight467.72 g/mol
Exact Mass467.40
IUPAC Name1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine
SMILESCCCCNC(=CP(=O)(C=C(CCC)NCCCC)C=C(CCC)NCCCC)CCC
InChIInChI=1S/C27H54N3OP/c1-7-13-19-28-25(16-10-4)22-32(31,23-26(17-11-5)29-20-14-8-2)24-27(18-12-6)30-21-15-9-3/h22-24,28-30H,7-21H2,1-6H3
InChIKeyXJHLRFNMCOPIRK-UHFFFAOYSA-N
XLogP8.44
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.72
LogP ≤ 58.44
H-Bond Donors ≤ 53
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-butyl-2-methylidenepentan-1-amine
CID 88829510
N-butyl-N'-pentylpropanediamide
CID 89202031
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
phosphono N-butylcarbamate
CID 154142807
N-butyl-4-chlorobutanamide
CID 4218503
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
3-butyl-1-(butylcarbamoyl)-1-methylurea
CID 173294648
acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide
CID 143730813
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478

Frequently Asked Questions

What is the IUPAC name of 1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine?
The IUPAC name of 1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine (CID 149435497) is 1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine.
What is the SMILES notation for 1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine?
The canonical SMILES for 1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine is CCCCNC(=CP(=O)(C=C(CCC)NCCCC)C=C(CCC)NCCCC)CCC.
What is the InChIKey of 1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine?
The InChIKey is XJHLRFNMCOPIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N3OP/c1-7-13-19-28-25(16-10-4)22-32(31,23-26(17-11-5)29-20-14-8-2)24-27(18-12-6)30-21-15-9-3/h22-24,28-30H,7-21H2,1-6H3.
What are the key properties of 1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine?
1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine has a molecular weight of 467.72 g/mol, XLogP of 8.44, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine is sourced from PubChem (CID 149435497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).