N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

C7H17ClN2 — CID 89066515

IUPACN'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)Cl
InChIInChI=1S/C7H17ClN2/c1-7(2)6-9-4-5-10(3)8/h7,9H,4-6H2,1-3H3
InChIKeyUNRZFYLIDZWRTI-UHFFFAOYSA-N
MW164.68 g/mol
LogP1.32
Rot. Bonds5

About N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 89066515) has the molecular formula C7H17ClN2 and a molecular weight of 164.68 g/mol. Its IUPAC name is N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID89066515
Molecular FormulaC7H17ClN2
Molecular Weight164.68 g/mol
Exact Mass164.11
IUPAC NameN'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)Cl
InChIInChI=1S/C7H17ClN2/c1-7(2)6-9-4-5-10(3)8/h7,9H,4-6H2,1-3H3
InChIKeyUNRZFYLIDZWRTI-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 89066515) is N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCN(C)Cl.
What is the InChIKey of N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is UNRZFYLIDZWRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClN2/c1-7(2)6-9-4-5-10(3)8/h7,9H,4-6H2,1-3H3.
What are the key properties of N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 164.68 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 89066515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).