N-[amino(butylamino)phosphinothioyl]butan-1-amine

C8H22N3PS — CID 151376674

IUPACN-[amino(butylamino)phosphinothioyl]butan-1-amine
SMILESCCCCNP(N)(=S)NCCCC
InChIInChI=1S/C8H22N3PS/c1-3-5-7-10-12(9,13)11-8-6-4-2/h3-8H2,1-2H3,(H4,9,10,11,13)
InChIKeyJWBMXIJQHVSLFE-UHFFFAOYSA-N
MW223.33 g/mol
LogP1.95
Rot. Bonds8

About N-[amino(butylamino)phosphinothioyl]butan-1-amine

N-[amino(butylamino)phosphinothioyl]butan-1-amine (PubChem CID 151376674) has the molecular formula C8H22N3PS and a molecular weight of 223.33 g/mol. Its IUPAC name is N-[amino(butylamino)phosphinothioyl]butan-1-amine.

Molecular Properties

Compound NameN-[amino(butylamino)phosphinothioyl]butan-1-amine
PubChem CID151376674
Molecular FormulaC8H22N3PS
Molecular Weight223.33 g/mol
Exact Mass223.13
IUPAC NameN-[amino(butylamino)phosphinothioyl]butan-1-amine
SMILESCCCCNP(N)(=S)NCCCC
InChIInChI=1S/C8H22N3PS/c1-3-5-7-10-12(9,13)11-8-6-4-2/h3-8H2,1-2H3,(H4,9,10,11,13)
InChIKeyJWBMXIJQHVSLFE-UHFFFAOYSA-N
XLogP1.95
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-[amino(propylamino)phosphinothioyl]propan-1-amine
CID 165357637
1-[[[amino(butylamino)phosphinothioyl]amino]methyl]-3-[(carbamoylamino)methyl]urea
CID 126497354
N-diaminophosphinothioylbutan-1-amine;urea
CID 90659758
N-[bis(butylamino)phosphoryl]butan-1-amine
CID 15653527
CID 175738153
CID 175738153
N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine
CID 130397670
butane;tetrasulfide;dithiophosphate
CID 21199892
heptadecane;hydrazine
CID 174880698
hydrazine;pentadecane
CID 174880620
N-bis(octylamino)phosphoryloctan-1-amine
CID 71386012
3-(dioctadecoxyphosphinothioylamino)propyl-trimethylphosphanium
CID 56959054
N-[butylamino(methyl)silyl]butan-1-amine
CID 154140099

Frequently Asked Questions

What is the IUPAC name of N-[amino(butylamino)phosphinothioyl]butan-1-amine?
The IUPAC name of N-[amino(butylamino)phosphinothioyl]butan-1-amine (CID 151376674) is N-[amino(butylamino)phosphinothioyl]butan-1-amine.
What is the SMILES notation for N-[amino(butylamino)phosphinothioyl]butan-1-amine?
The canonical SMILES for N-[amino(butylamino)phosphinothioyl]butan-1-amine is CCCCNP(N)(=S)NCCCC.
What is the InChIKey of N-[amino(butylamino)phosphinothioyl]butan-1-amine?
The InChIKey is JWBMXIJQHVSLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N3PS/c1-3-5-7-10-12(9,13)11-8-6-4-2/h3-8H2,1-2H3,(H4,9,10,11,13).
What are the key properties of N-[amino(butylamino)phosphinothioyl]butan-1-amine?
N-[amino(butylamino)phosphinothioyl]butan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(butylamino)phosphinothioyl]butan-1-amine is sourced from PubChem (CID 151376674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).