N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine

C16H38N3O3P — CID 175408582

IUPACN-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOP(N)(=O)OCCN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H38N3O3P/c1-13(2)18(14(3)4)9-11-21-23(17,20)22-12-10-19(15(5)6)16(7)8/h13-16H,9-12H2,1-8H3,(H2,17,20)
InChIKeyCVIPQQRLPCVBFZ-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.32
Rot. Bonds12

About N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine

N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 175408582) has the molecular formula C16H38N3O3P and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine
PubChem CID175408582
Molecular FormulaC16H38N3O3P
Molecular Weight351.47 g/mol
Exact Mass351.27
IUPAC NameN-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOP(N)(=O)OCCN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H38N3O3P/c1-13(2)18(14(3)4)9-11-21-23(17,20)22-12-10-19(15(5)6)16(7)8/h13-16H,9-12H2,1-8H3,(H2,17,20)
InChIKeyCVIPQQRLPCVBFZ-UHFFFAOYSA-N
XLogP3.32
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-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-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine
CID 118053933
3-[di(propan-2-yl)amino]propyl carbamate
CID 175431360
O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride
CID 86737967
2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate
CID 134213072
N-(2-ethoxyethyl)-N-propan-2-ylpropan-2-amine
CID 575118
3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane
CID 139367377
1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate
CID 164933282
2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine
CID 115505872
2-[di(propan-2-yl)amino]ethyl (E)-4-oxobut-2-enoate
CID 170122813
N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 151578187
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
2-[di(propan-2-yl)amino]ethyl hexadecanoate
CID 54190007

Frequently Asked Questions

What is the IUPAC name of N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine (CID 175408582) is N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOP(N)(=O)OCCN(C(C)C)C(C)C)C(C)C.
What is the InChIKey of N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is CVIPQQRLPCVBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N3O3P/c1-13(2)18(14(3)4)9-11-21-23(17,20)22-12-10-19(15(5)6)16(7)8/h13-16H,9-12H2,1-8H3,(H2,17,20).
What are the key properties of N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 351.47 g/mol, XLogP of 3.32, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 175408582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).