N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine

C14H30N2O — CID 65080042

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine
SMILESCOCCN(C)CCNC1CCCC(C)CC1
InChIInChI=1S/C14H30N2O/c1-13-5-4-6-14(8-7-13)15-9-10-16(2)11-12-17-3/h13-15H,4-12H2,1-3H3
InChIKeyKGHOHZMMWHJUFS-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine (PubChem CID 65080042) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine
PubChem CID65080042
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine
SMILESCOCCN(C)CCNC1CCCC(C)CC1
InChIInChI=1S/C14H30N2O/c1-13-5-4-6-14(8-7-13)15-9-10-16(2)11-12-17-3/h13-15H,4-12H2,1-3H3
InChIKeyKGHOHZMMWHJUFS-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine (CID 65080042) is N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine is COCCN(C)CCNC1CCCC(C)CC1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine?
The InChIKey is KGHOHZMMWHJUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13-5-4-6-14(8-7-13)15-9-10-16(2)11-12-17-3/h13-15H,4-12H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine is sourced from PubChem (CID 65080042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).