2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine

C13H28N2O — CID 79859559

IUPAC2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine
SMILESCCNC1C(N(C)CCOC)CCC1(C)C
InChIInChI=1S/C13H28N2O/c1-6-14-12-11(7-8-13(12,2)3)15(4)9-10-16-5/h11-12,14H,6-10H2,1-5H3
InChIKeyBOKWJKLRAWPSQC-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine

2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine (PubChem CID 79859559) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine
PubChem CID79859559
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine
SMILESCCNC1C(N(C)CCOC)CCC1(C)C
InChIInChI=1S/C13H28N2O/c1-6-14-12-11(7-8-13(12,2)3)15(4)9-10-16-5/h11-12,14H,6-10H2,1-5H3
InChIKeyBOKWJKLRAWPSQC-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N-(1-methoxypropan-2-yl)-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828606
1-N-[2-(dimethylamino)ethyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
CID 79860080
1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
CID 79828541
1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79859850
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
CID 79859981
N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 82953409
N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849429
1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-2-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79860132
1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79859815
1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine
CID 79828381
N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine
CID 79865783
2-N-ethyl-1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
CID 79829226

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine (CID 79859559) is 2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine is CCNC1C(N(C)CCOC)CCC1(C)C.
What is the InChIKey of 2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine?
The InChIKey is BOKWJKLRAWPSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-14-12-11(7-8-13(12,2)3)15(4)9-10-16-5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine?
2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine is sourced from PubChem (CID 79859559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).