1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine

C16H34N2O — CID 79859981

IUPAC1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
SMILESCCC(CC)N(CCOC)C1CCC(C)(C)C1NC
InChIInChI=1S/C16H34N2O/c1-7-13(8-2)18(11-12-19-6)14-9-10-16(3,4)15(14)17-5/h13-15,17H,7-12H2,1-6H3
InChIKeyLOPXPMUHNVFJGQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

About 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine

1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine (PubChem CID 79859981) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
PubChem CID79859981
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
SMILESCCC(CC)N(CCOC)C1CCC(C)(C)C1NC
InChIInChI=1S/C16H34N2O/c1-7-13(8-2)18(11-12-19-6)14-9-10-16(3,4)15(14)17-5/h13-15,17H,7-12H2,1-6H3
InChIKeyLOPXPMUHNVFJGQ-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
CID 79829504
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828530
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
2-N-(2-methoxyethyl)-2-N-pentan-3-ylcyclooctane-1,2-diamine
CID 55004362
5-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylcyclopentan-1-ol
CID 79856473
2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79859559
1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
CID 79828541
3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79628023
1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79864029
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 79828904
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 82948123

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine (CID 79859981) is 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine is CCC(CC)N(CCOC)C1CCC(C)(C)C1NC.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine?
The InChIKey is LOPXPMUHNVFJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-13(8-2)18(11-12-19-6)14-9-10-16(3,4)15(14)17-5/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine?
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine is sourced from PubChem (CID 79859981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).