N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride

C8H21ClNP — CID 174657349

IUPACN-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride
SMILESCC(C)N(C(C)C)C(C)P.Cl
InChIInChI=1S/C8H20NP.ClH/c1-6(2)9(7(3)4)8(5)10;/h6-8H,10H2,1-5H3;1H
InChIKeyMCLOBHIEBLAVLU-UHFFFAOYSA-N
MW197.69 g/mol
LogP2.75
Rot. Bonds3

About N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride

N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride (PubChem CID 174657349) has the molecular formula C8H21ClNP and a molecular weight of 197.69 g/mol. Its IUPAC name is N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride
PubChem CID174657349
Molecular FormulaC8H21ClNP
Molecular Weight197.69 g/mol
Exact Mass197.11
IUPAC NameN-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride
SMILESCC(C)N(C(C)C)C(C)P.Cl
InChIInChI=1S/C8H20NP.ClH/c1-6(2)9(7(3)4)8(5)10;/h6-8H,10H2,1-5H3;1H
InChIKeyMCLOBHIEBLAVLU-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(propan-2-yl)propan-2-amine;hydrate
CID 173081552
1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine
CID 139882033
1-[1-hydroxyethyl(propan-2-yl)amino]ethanol
CID 57090083
N,N-dimethylpropan-2-amine;ethane
CID 143195472
N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 19822699
N-propan-2-yl-N-(1-propan-2-yloxyphosphanylethyl)propan-2-amine
CID 174771444
2-N,2-N,3-N,3-N-tetramethylbutane-2,3-diamine;hydrochloride
CID 175121214
bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride
CID 173170718
ethane;propan-2-ylphosphane
CID 170611311
1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine
CID 139938439
1,1-difluoro-N,N-di(propan-2-yl)propan-2-amine
CID 176685681
N,N-di(propan-2-yl)propan-2-amine;N-methylmethanimine;2-methylpropane
CID 123192010

Frequently Asked Questions

What is the IUPAC name of N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride?
The IUPAC name of N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride (CID 174657349) is N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride?
The canonical SMILES for N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride is CC(C)N(C(C)C)C(C)P.Cl.
What is the InChIKey of N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride?
The InChIKey is MCLOBHIEBLAVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NP.ClH/c1-6(2)9(7(3)4)8(5)10;/h6-8H,10H2,1-5H3;1H.
What are the key properties of N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride?
N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride has a molecular weight of 197.69 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride is sourced from PubChem (CID 174657349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).