N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C15H32N2O — CID 65083762

IUPACN-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCC1CCCC(NCCN(C)CCOC)CC1
InChIInChI=1S/C15H32N2O/c1-4-14-6-5-7-15(9-8-14)16-10-11-17(2)12-13-18-3/h14-16H,4-13H2,1-3H3
InChIKeyPHZDRQQOMZELMM-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 65083762) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID65083762
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCC1CCCC(NCCN(C)CCOC)CC1
InChIInChI=1S/C15H32N2O/c1-4-14-6-5-7-15(9-8-14)16-10-11-17(2)12-13-18-3/h14-16H,4-13H2,1-3H3
InChIKeyPHZDRQQOMZELMM-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078580
N-(2-ethoxyethyl)-4-ethylcycloheptan-1-amine
CID 65084124
N'-(4-ethylcycloheptyl)ethane-1,2-diamine
CID 65083098
N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
CID 65083055
N-cyclohexyl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62575118
N-cyclopropyl-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61446699
N-cyclopropyl-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 61449433
N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104563816
N-cyclopropyl-N'-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 65175083
tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
CID 103720208
N-cyclohexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 80709224
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 65083762) is N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is CCC1CCCC(NCCN(C)CCOC)CC1.
What is the InChIKey of N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is PHZDRQQOMZELMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-14-6-5-7-15(9-8-14)16-10-11-17(2)12-13-18-3/h14-16H,4-13H2,1-3H3.
What are the key properties of N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 65083762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).