N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine

C13H28N2 — CID 107178444

IUPACN'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)CC1CCCC1(C)C
InChIInChI=1S/C13H28N2/c1-5-14-9-10-15(4)11-12-7-6-8-13(12,2)3/h12,14H,5-11H2,1-4H3
InChIKeyGOIGYBWTJCGYKC-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds6

About N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine

N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 107178444) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID107178444
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)CC1CCCC1(C)C
InChIInChI=1S/C13H28N2/c1-5-14-9-10-15(4)11-12-7-6-8-13(12,2)3/h12,14H,5-11H2,1-4H3
InChIKeyGOIGYBWTJCGYKC-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
N'-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 79849117
N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
CID 107178474
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine
CID 107178361
N-cyclopropyl-N'-[(2,2-dimethylcyclopropyl)methyl]-N'-methylethane-1,2-diamine
CID 107001497
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
N'-[(3,3-difluorocyclohexyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 114224166
6-[[ethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852215
N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine
CID 107178371
N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine
CID 79862677
5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol
CID 107204583

Frequently Asked Questions

What is the IUPAC name of N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine (CID 107178444) is N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine is CCNCCN(C)CC1CCCC1(C)C.
What is the InChIKey of N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is GOIGYBWTJCGYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-14-9-10-15(4)11-12-7-6-8-13(12,2)3/h12,14H,5-11H2,1-4H3.
What are the key properties of N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine?
N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,2-dimethylcyclopentyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107178444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).