N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine

C12H28ClN2P — CID 23279007

IUPACN-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(Cl)N(C(C)C)C(C)C
InChIInChI=1S/C12H28ClN2P/c1-7-9-14(10-8-2)16(13)15(11(3)4)12(5)6/h11-12H,7-10H2,1-6H3
InChIKeyYHSMPZVZBCYVMO-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.69
Rot. Bonds8

About N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine

N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine (PubChem CID 23279007) has the molecular formula C12H28ClN2P and a molecular weight of 266.80 g/mol. Its IUPAC name is N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine
PubChem CID23279007
Molecular FormulaC12H28ClN2P
Molecular Weight266.80 g/mol
Exact Mass266.17
IUPAC NameN-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(Cl)N(C(C)C)C(C)C
InChIInChI=1S/C12H28ClN2P/c1-7-9-14(10-8-2)16(13)15(11(3)4)12(5)6/h11-12H,7-10H2,1-6H3
InChIKeyYHSMPZVZBCYVMO-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[chloro(ethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 14867282
N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
CID 14249300
N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine
CID 89007195
N,N-dipropylbutan-2-amine
CID 524229
1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
CID 141222296
[propan-2-yl(propyl)amino]sulfanylmethanethiol
CID 130246845
1-[propan-2-ylsulfamoyl(propyl)amino]propane
CID 60750604
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
N-[dimethylamino(methyl)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 57028842
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
N-propan-2-yl-N-[[propan-2-yl(propyl)amino]silylmethylsilyl]propan-1-amine
CID 123834239
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420

Frequently Asked Questions

What is the IUPAC name of N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine?
The IUPAC name of N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine (CID 23279007) is N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine is CCCN(CCC)P(Cl)N(C(C)C)C(C)C.
What is the InChIKey of N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine?
The InChIKey is YHSMPZVZBCYVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28ClN2P/c1-7-9-14(10-8-2)16(13)15(11(3)4)12(5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine?
N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine has a molecular weight of 266.80 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine is sourced from PubChem (CID 23279007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).