N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide

C16H33N4O3P — CID 123573388

IUPACN-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide
SMILESCC(C)(C)CC(C)(C)CC(=O)NCC(CN)OP(N)OCCC#N
InChIInChI=1S/C16H33N4O3P/c1-15(2,3)12-16(4,5)9-14(21)20-11-13(10-18)23-24(19)22-8-6-7-17/h13H,6,8-12,18-19H2,1-5H3,(H,20,21)
InChIKeyMTRPBCHWKCXWFS-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.41
Rot. Bonds11

About N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide

N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide (PubChem CID 123573388) has the molecular formula C16H33N4O3P and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide.

Molecular Properties

Compound NameN-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide
PubChem CID123573388
Molecular FormulaC16H33N4O3P
Molecular Weight360.44 g/mol
Exact Mass360.23
IUPAC NameN-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide
SMILESCC(C)(C)CC(C)(C)CC(=O)NCC(CN)OP(N)OCCC#N
InChIInChI=1S/C16H33N4O3P/c1-15(2,3)12-16(4,5)9-14(21)20-11-13(10-18)23-24(19)22-8-6-7-17/h13H,6,8-12,18-19H2,1-5H3,(H,20,21)
InChIKeyMTRPBCHWKCXWFS-UHFFFAOYSA-N
XLogP2.41
TPSA123.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

[1-Amino-3-(3,3,5,5-tetramethylhexanoylamino)propan-2-yl]oxy-(2-cyanoethoxy)-iminophosphanium
CID 123147554
1,3-Bis(3,3,5,5-tetramethylhexanoylamino)propan-2-yloxy-(2-cyanoethoxy)-iminophosphanium
CID 123154188
N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide
CID 135293023
N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide
CID 135293025
N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2-ethyl-2,4,4-trimethylpentanamide
CID 145284347
N-[3-amino-2-[2-cyanoethoxy(methylamino)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide
CID 164126963
N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(pentanoylamino)propyl]hexanamide
CID 170223841
N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(5-deuteriopentanoylamino)propyl]hexanamide
CID 161521105

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide?
The IUPAC name of N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide (CID 123573388) is N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide.
What is the SMILES notation for N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide?
The canonical SMILES for N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide is CC(C)(C)CC(C)(C)CC(=O)NCC(CN)OP(N)OCCC#N.
What is the InChIKey of N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide?
The InChIKey is MTRPBCHWKCXWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N4O3P/c1-15(2,3)12-16(4,5)9-14(21)20-11-13(10-18)23-24(19)22-8-6-7-17/h13H,6,8-12,18-19H2,1-5H3,(H,20,21).
What are the key properties of N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide?
N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide has a molecular weight of 360.44 g/mol, XLogP of 2.41, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-[amino(2-cyanoethoxy)phosphanyl]oxypropyl]-3,3,5,5-tetramethylhexanamide is sourced from PubChem (CID 123573388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).