N-dimethoxyphosphoryldodecan-1-amine

C14H32NO3P — CID 54307862

IUPACN-dimethoxyphosphoryldodecan-1-amine
SMILESCCCCCCCCCCCCNP(=O)(OC)OC
InChIInChI=1S/C14H32NO3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17-2)18-3/h4-14H2,1-3H3,(H,15,16)
InChIKeySIUKUXVTISAFSV-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.90
Rot. Bonds14

About N-dimethoxyphosphoryldodecan-1-amine

N-dimethoxyphosphoryldodecan-1-amine (PubChem CID 54307862) has the molecular formula C14H32NO3P and a molecular weight of 293.39 g/mol. Its IUPAC name is N-dimethoxyphosphoryldodecan-1-amine.

Molecular Properties

Compound NameN-dimethoxyphosphoryldodecan-1-amine
PubChem CID54307862
Molecular FormulaC14H32NO3P
Molecular Weight293.39 g/mol
Exact Mass293.21
IUPAC NameN-dimethoxyphosphoryldodecan-1-amine
SMILESCCCCCCCCCCCCNP(=O)(OC)OC
InChIInChI=1S/C14H32NO3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17-2)18-3/h4-14H2,1-3H3,(H,15,16)
InChIKeySIUKUXVTISAFSV-UHFFFAOYSA-N
XLogP4.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-dimethoxyphosphoryldodecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
N-bis(octylamino)phosphoryloctan-1-amine
CID 71386012
(Z)-N-didodecoxyphosphoryloctadec-9-en-1-amine
CID 5383989
N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine
CID 169075508
4-(heptylamino)butyl-methoxyphosphinic acid
CID 155661218
N-[bis(butylamino)phosphoryl]butan-1-amine
CID 15653527
N-octylheptadecan-1-amine;phosphoric acid
CID 174994619
[4-(dioctylamino)butylamino]phosphonic acid
CID 58601813
N-methoxydodecan-1-amine
CID 14131600
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 46183974

Frequently Asked Questions

What is the IUPAC name of N-dimethoxyphosphoryldodecan-1-amine?
The IUPAC name of N-dimethoxyphosphoryldodecan-1-amine (CID 54307862) is N-dimethoxyphosphoryldodecan-1-amine.
What is the SMILES notation for N-dimethoxyphosphoryldodecan-1-amine?
The canonical SMILES for N-dimethoxyphosphoryldodecan-1-amine is CCCCCCCCCCCCNP(=O)(OC)OC.
What is the InChIKey of N-dimethoxyphosphoryldodecan-1-amine?
The InChIKey is SIUKUXVTISAFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17-2)18-3/h4-14H2,1-3H3,(H,15,16).
What are the key properties of N-dimethoxyphosphoryldodecan-1-amine?
N-dimethoxyphosphoryldodecan-1-amine has a molecular weight of 293.39 g/mol, XLogP of 4.90, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethoxyphosphoryldodecan-1-amine is sourced from PubChem (CID 54307862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).