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

C17H36N2O — CID 79829504

IUPAC1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
SMILESCCC(CC)N(CCOC)C1CCCC(C)(C)C1NC
InChIInChI=1S/C17H36N2O/c1-7-14(8-2)19(12-13-20-6)15-10-9-11-17(3,4)16(15)18-5/h14-16,18H,7-13H2,1-6H3
InChIKeyHVLSSSIIVNQSDG-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds8

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

1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine (PubChem CID 79829504) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
PubChem CID79829504
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
SMILESCCC(CC)N(CCOC)C1CCCC(C)(C)C1NC
InChIInChI=1S/C17H36N2O/c1-7-14(8-2)19(12-13-20-6)15-10-9-11-17(3,4)16(15)18-5/h14-16,18H,7-13H2,1-6H3
InChIKeyHVLSSSIIVNQSDG-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
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-ylcyclopentane-1,2-diamine
CID 79859981
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828530
1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
CID 79828541
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 79828904
2-N-(2-methoxyethyl)-2-N-pentan-3-ylcyclooctane-1,2-diamine
CID 55004362
3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79628023
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
methyl 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79628021
1-N-ethyl-2-N,3,3-trimethyl-1-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79829289
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 82948123
2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine
CID 107869702

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine (CID 79829504) is 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine is CCC(CC)N(CCOC)C1CCCC(C)(C)C1NC.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine?
The InChIKey is HVLSSSIIVNQSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-14(8-2)19(12-13-20-6)15-10-9-11-17(3,4)16(15)18-5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine?
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 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-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 79829504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).