phosphane;tetrakis(1,1,3,3-tetrapropylguanidine)

C52H119N12P — CID 175106383

IUPACphosphane;tetrakis(1,1,3,3-tetrapropylguanidine)
SMILESP.[H]N=C(N(CCC)CCC)N(CCC)CCC.[H]N=C(N(CCC)CCC)N(CCC)CCC.[H]N=C(N(CCC)CCC)N(CCC)CCC.[H]N=C(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/4C13H29N3.H3P/c4*1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4;/h4*14H,5-12H2,1-4H3;1H3
InChIKeyJEWVWDQDQNHULB-UHFFFAOYSA-N
MW943.58 g/mol
LogP12.72
Rot. Bonds32

About phosphane;tetrakis(1,1,3,3-tetrapropylguanidine)

phosphane;tetrakis(1,1,3,3-tetrapropylguanidine) (PubChem CID 175106383) has the molecular formula C52H119N12P and a molecular weight of 943.58 g/mol. Its IUPAC name is phosphane;tetrakis(1,1,3,3-tetrapropylguanidine).

Molecular Properties

Compound Namephosphane;tetrakis(1,1,3,3-tetrapropylguanidine)
PubChem CID175106383
Molecular FormulaC52H119N12P
Molecular Weight943.58 g/mol
Exact Mass942.94
IUPAC Namephosphane;tetrakis(1,1,3,3-tetrapropylguanidine)
SMILESP.[H]N=C(N(CCC)CCC)N(CCC)CCC.[H]N=C(N(CCC)CCC)N(CCC)CCC.[H]N=C(N(CCC)CCC)N(CCC)CCC.[H]N=C(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/4C13H29N3.H3P/c4*1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4;/h4*14H,5-12H2,1-4H3;1H3
InChIKeyJEWVWDQDQNHULB-UHFFFAOYSA-N
XLogP12.72
TPSA121.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.58
LogP ≤ 512.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropylethanethioamide
CID 19819320
sodium N,N-dipropylcarbamodithioate
CID 539731
lithium N,N-dipropylacetamide
CID 10997201
disodium;bis(N,N-dipropylcarbamodithioate);trihydrate
CID 159566089
2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine
CID 15683562
2-(dipropylamino)-2-oxoacetyl chloride
CID 131861907
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
CID 176546682
N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide
CID 63177323
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
butane;S-ethyl N,N-dipropylcarbamothioate
CID 88766037
3-iodo-1,1-dipropylurea
CID 87969845

Frequently Asked Questions

What is the IUPAC name of phosphane;tetrakis(1,1,3,3-tetrapropylguanidine)?
The IUPAC name of phosphane;tetrakis(1,1,3,3-tetrapropylguanidine) (CID 175106383) is phosphane;tetrakis(1,1,3,3-tetrapropylguanidine).
What is the SMILES notation for phosphane;tetrakis(1,1,3,3-tetrapropylguanidine)?
The canonical SMILES for phosphane;tetrakis(1,1,3,3-tetrapropylguanidine) is P.[H]N=C(N(CCC)CCC)N(CCC)CCC.[H]N=C(N(CCC)CCC)N(CCC)CCC.[H]N=C(N(CCC)CCC)N(CCC)CCC.[H]N=C(N(CCC)CCC)N(CCC)CCC.
What is the InChIKey of phosphane;tetrakis(1,1,3,3-tetrapropylguanidine)?
The InChIKey is JEWVWDQDQNHULB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H29N3.H3P/c4*1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4;/h4*14H,5-12H2,1-4H3;1H3.
What are the key properties of phosphane;tetrakis(1,1,3,3-tetrapropylguanidine)?
phosphane;tetrakis(1,1,3,3-tetrapropylguanidine) has a molecular weight of 943.58 g/mol, XLogP of 12.72, 32 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;tetrakis(1,1,3,3-tetrapropylguanidine) is sourced from PubChem (CID 175106383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).