1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane

C6H16Cl2NP — CID 160903249

IUPAC1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane
SMILESCC(C)NC(C)(Cl)CCl.P
InChIInChI=1S/C6H13Cl2N.H3P/c1-5(2)9-6(3,8)4-7;/h5,9H,4H2,1-3H3;1H3
InChIKeySPUDXBMLQHHHQQ-UHFFFAOYSA-N
MW204.08 g/mol
LogP2.24
Rot. Bonds3

About 1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane

1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane (PubChem CID 160903249) has the molecular formula C6H16Cl2NP and a molecular weight of 204.08 g/mol. Its IUPAC name is 1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane.

Molecular Properties

Compound Name1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane
PubChem CID160903249
Molecular FormulaC6H16Cl2NP
Molecular Weight204.08 g/mol
Exact Mass203.04
IUPAC Name1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane
SMILESCC(C)NC(C)(Cl)CCl.P
InChIInChI=1S/C6H13Cl2N.H3P/c1-5(2)9-6(3,8)4-7;/h5,9H,4H2,1-3H3;1H3
InChIKeySPUDXBMLQHHHQQ-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.08
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(chloromethyl)-1-methoxyethanamine
CID 146299204
1,2-dichloro-2-(1,2-dichloropropan-2-yloxy)propane
CID 22292070
1-(1-fluoroethoxy)-2-methyl-N-propan-2-ylpropan-2-amine
CID 158734827
N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine
CID 107887400
1,3-dichloro-2-methylbutane-2,3-diol
CID 130737307
1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine
CID 166780842
2-N,2,4-trimethyl-4-N-propan-2-ylpentane-2,4-diamine
CID 170208010
1,1,1,2-tetrachloroethane
CID 12418
2-methyl-2-(propan-2-ylamino)propanal
CID 11094648
1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane
CID 20782608
1,1,1-trifluoro-2-methyl-N-propan-2-ylpropan-2-amine
CID 20782611
2,2,2-tris(propan-2-ylamino)ethanol
CID 175145036

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane?
The IUPAC name of 1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane (CID 160903249) is 1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane.
What is the SMILES notation for 1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane?
The canonical SMILES for 1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane is CC(C)NC(C)(Cl)CCl.P.
What is the InChIKey of 1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane?
The InChIKey is SPUDXBMLQHHHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl2N.H3P/c1-5(2)9-6(3,8)4-7;/h5,9H,4H2,1-3H3;1H3.
What are the key properties of 1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane?
1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane has a molecular weight of 204.08 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane is sourced from PubChem (CID 160903249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).