N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine

C36H83Cl2N3O3P2 — CID 160670872

IUPACN-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(Cl)Cl.CC(C)NC(C)C.CCCCCCO.CCCCCCOP(OCCCCCC)N(C(C)C)C(C)C
InChIInChI=1S/C18H40NO2P.C6H14Cl2NP.C6H15N.C6H14O/c1-7-9-11-13-15-20-22(19(17(3)4)18(5)6)21-16-14-12-10-8-2;1-5(2)9(6(3)4)10(7)8;1-5(2)7-6(3)4;1-2-3-4-5-6-7/h17-18H,7-16H2,1-6H3;5-6H,1-4H3;5-7H,1-4H3;7H,2-6H2,1H3
InChIKeyRMXKDEJDXSNCQM-UHFFFAOYSA-N
MW738.93 g/mol
LogP13.29
Rot. Bonds24

About N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine

N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine (PubChem CID 160670872) has the molecular formula C36H83Cl2N3O3P2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine
PubChem CID160670872
Molecular FormulaC36H83Cl2N3O3P2
Molecular Weight738.93 g/mol
Exact Mass737.53
IUPAC NameN-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(Cl)Cl.CC(C)NC(C)C.CCCCCCO.CCCCCCOP(OCCCCCC)N(C(C)C)C(C)C
InChIInChI=1S/C18H40NO2P.C6H14Cl2NP.C6H15N.C6H14O/c1-7-9-11-13-15-20-22(19(17(3)4)18(5)6)21-16-14-12-10-8-2;1-5(2)9(6(3)4)10(7)8;1-5(2)7-6(3)4;1-2-3-4-5-6-7/h17-18H,7-16H2,1-6H3;5-6H,1-4H3;5-7H,1-4H3;7H,2-6H2,1H3
InChIKeyRMXKDEJDXSNCQM-UHFFFAOYSA-N
XLogP13.29
TPSA57.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 513.29
H-Bond Donors ≤ 52
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

N-[hexoxy(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 59518293
O-[2-[[di(propan-2-yl)amino]-[6-(heptyldisulfanyl)hexoxy]phosphanyl]oxyethyl]hydroxylamine
CID 59693352
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
hexan-1-ol;2-methylpropane
CID 159802705
hexan-1-ol;1-methoxypropan-2-ol
CID 87087697
5-octoxypentan-1-ol
CID 22407981
9-nonoxynonan-1-ol
CID 57318642
chloro(didodecoxy)phosphane
CID 54405346
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398

Frequently Asked Questions

What is the IUPAC name of N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine?
The IUPAC name of N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine (CID 160670872) is N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(Cl)Cl.CC(C)NC(C)C.CCCCCCO.CCCCCCOP(OCCCCCC)N(C(C)C)C(C)C.
What is the InChIKey of N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine?
The InChIKey is RMXKDEJDXSNCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40NO2P.C6H14Cl2NP.C6H15N.C6H14O/c1-7-9-11-13-15-20-22(19(17(3)4)18(5)6)21-16-14-12-10-8-2;1-5(2)9(6(3)4)10(7)8;1-5(2)7-6(3)4;1-2-3-4-5-6-7/h17-18H,7-16H2,1-6H3;5-6H,1-4H3;5-7H,1-4H3;7H,2-6H2,1H3.
What are the key properties of N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine?
N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine has a molecular weight of 738.93 g/mol, XLogP of 13.29, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 160670872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).