5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine

C24H54ClN3O2P2 — CID 91296452

IUPAC5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine
SMILESCC(C)OP(Cl)N(C(C)C)C(C)CCC(C)N(C(C)C)P(OC(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C24H54ClN3O2P2/c1-17(2)26(18(3)4)32(30-22(11)12)28(20(7)8)24(14)16-15-23(13)27(19(5)6)31(25)29-21(9)10/h17-24H,15-16H2,1-14H3
InChIKeyYXRFRCAFGIMRIL-UHFFFAOYSA-N
MW514.12 g/mol
LogP8.63
Rot. Bonds16

About 5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine

5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine (PubChem CID 91296452) has the molecular formula C24H54ClN3O2P2 and a molecular weight of 514.12 g/mol. Its IUPAC name is 5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine.

Molecular Properties

Compound Name5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine
PubChem CID91296452
Molecular FormulaC24H54ClN3O2P2
Molecular Weight514.12 g/mol
Exact Mass513.34
IUPAC Name5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine
SMILESCC(C)OP(Cl)N(C(C)C)C(C)CCC(C)N(C(C)C)P(OC(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C24H54ClN3O2P2/c1-17(2)26(18(3)4)32(30-22(11)12)28(20(7)8)24(14)16-15-23(13)27(19(5)6)31(25)29-21(9)10/h17-24H,15-16H2,1-14H3
InChIKeyYXRFRCAFGIMRIL-UHFFFAOYSA-N
XLogP8.63
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.12
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine with MolForge

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Related Compounds

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S-[2-[2-[[di(propan-2-yl)amino]-[5-[[[di(propan-2-yl)amino]-[2-(2-propanoylsulfanylethoxy)ethoxy]phosphanyl]-propan-2-ylamino]hexan-2-yl-propan-2-ylamino]phosphanyl]oxyethoxy]ethyl] 2,2-dimethylpropanethioate
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N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine
CID 23279007
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CID 14249300
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N-ethyl-N-propan-2-yloxypropan-2-amine
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di(propan-2-yloxy)-propylphosphane
CID 57116062
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Frequently Asked Questions

What is the IUPAC name of 5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine?
The IUPAC name of 5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine (CID 91296452) is 5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine.
What is the SMILES notation for 5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine?
The canonical SMILES for 5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine is CC(C)OP(Cl)N(C(C)C)C(C)CCC(C)N(C(C)C)P(OC(C)C)N(C(C)C)C(C)C.
What is the InChIKey of 5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine?
The InChIKey is YXRFRCAFGIMRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54ClN3O2P2/c1-17(2)26(18(3)4)32(30-22(11)12)28(20(7)8)24(14)16-15-23(13)27(19(5)6)31(25)29-21(9)10/h17-24H,15-16H2,1-14H3.
What are the key properties of 5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine?
5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine has a molecular weight of 514.12 g/mol, XLogP of 8.63, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine is sourced from PubChem (CID 91296452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).