N-bis(octylamino)phosphoryloctan-1-amine

C24H54N3OP — CID 71386012

IUPACN-bis(octylamino)phosphoryloctan-1-amine
SMILESCCCCCCCCNP(=O)(NCCCCCCCC)NCCCCCCCC
InChIInChI=1S/C24H54N3OP/c1-4-7-10-13-16-19-22-25-29(28,26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-24H2,1-3H3,(H3,25,26,27,28)
InChIKeyCDMDDALBNJNNIG-UHFFFAOYSA-N
MW431.69 g/mol
LogP7.94
Rot. Bonds24

About N-bis(octylamino)phosphoryloctan-1-amine

N-bis(octylamino)phosphoryloctan-1-amine (PubChem CID 71386012) has the molecular formula C24H54N3OP and a molecular weight of 431.69 g/mol. Its IUPAC name is N-bis(octylamino)phosphoryloctan-1-amine.

Molecular Properties

Compound NameN-bis(octylamino)phosphoryloctan-1-amine
PubChem CID71386012
Molecular FormulaC24H54N3OP
Molecular Weight431.69 g/mol
Exact Mass431.40
IUPAC NameN-bis(octylamino)phosphoryloctan-1-amine
SMILESCCCCCCCCNP(=O)(NCCCCCCCC)NCCCCCCCC
InChIInChI=1S/C24H54N3OP/c1-4-7-10-13-16-19-22-25-29(28,26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-24H2,1-3H3,(H3,25,26,27,28)
InChIKeyCDMDDALBNJNNIG-UHFFFAOYSA-N
XLogP7.94
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.69
LogP ≤ 57.94
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-[bis(butylamino)phosphoryl]butan-1-amine
CID 15653527
N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
N-dimethoxyphosphoryldodecan-1-amine
CID 54307862
N-octylheptadecan-1-amine;phosphoric acid
CID 174994619
[4-(dioctylamino)butylamino]phosphonic acid
CID 58601813
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
CID 175738153
CID 175738153
octane;N-octylnonan-1-amine
CID 145152206
dodecane;phosphoric acid
CID 88801558
1,2-diheptylhydrazine
CID 11195547
1-decyl-2-octylhydrazine
CID 154085192
N-undecyltetradecan-1-amine
CID 166059375

Frequently Asked Questions

What is the IUPAC name of N-bis(octylamino)phosphoryloctan-1-amine?
The IUPAC name of N-bis(octylamino)phosphoryloctan-1-amine (CID 71386012) is N-bis(octylamino)phosphoryloctan-1-amine.
What is the SMILES notation for N-bis(octylamino)phosphoryloctan-1-amine?
The canonical SMILES for N-bis(octylamino)phosphoryloctan-1-amine is CCCCCCCCNP(=O)(NCCCCCCCC)NCCCCCCCC.
What is the InChIKey of N-bis(octylamino)phosphoryloctan-1-amine?
The InChIKey is CDMDDALBNJNNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N3OP/c1-4-7-10-13-16-19-22-25-29(28,26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-24H2,1-3H3,(H3,25,26,27,28).
What are the key properties of N-bis(octylamino)phosphoryloctan-1-amine?
N-bis(octylamino)phosphoryloctan-1-amine has a molecular weight of 431.69 g/mol, XLogP of 7.94, 24 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(octylamino)phosphoryloctan-1-amine is sourced from PubChem (CID 71386012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).