N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine

C8H20N2 — CID 61168461

IUPACN'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
SMILESCNCCNCC(C)(C)C
InChIInChI=1S/C8H20N2/c1-8(2,3)7-10-6-5-9-4/h9-10H,5-7H2,1-4H3
InChIKeySAOUNAAKHHZSJO-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.84
Rot. Bonds4

About N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine

N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine (PubChem CID 61168461) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
PubChem CID61168461
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
SMILESCNCCNCC(C)(C)C
InChIInChI=1S/C8H20N2/c1-8(2,3)7-10-6-5-9-4/h9-10H,5-7H2,1-4H3
InChIKeySAOUNAAKHHZSJO-UHFFFAOYSA-N
XLogP0.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine
CID 146334947
2,2-dimethyl-N-propylpropan-1-amine
CID 551573
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
N'-(4,4-dimethylpentyl)-N-methylethane-1,2-diamine
CID 137426453
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
N-[2-(2,2-dimethylpropylamino)ethyl]carbamate
CID 23156307
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196146
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196189
N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196167
N-(2,2-dimethylpropyl)-N',2-dimethylpropane-1,3-diamine
CID 79201734

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine (CID 61168461) is N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine is CNCCNCC(C)(C)C.
What is the InChIKey of N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine?
The InChIKey is SAOUNAAKHHZSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-8(2,3)7-10-6-5-9-4/h9-10H,5-7H2,1-4H3.
What are the key properties of N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine?
N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 61168461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).