N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine

C16H34N2O2 — CID 62555270

IUPACN-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCN(CCNCC1CCCCC1)CCOC
InChIInChI=1S/C16H34N2O2/c1-19-13-6-10-18(12-14-20-2)11-9-17-15-16-7-4-3-5-8-16/h16-17H,3-15H2,1-2H3
InChIKeySDSNOPAXIJRIMI-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.14
Rot. Bonds12

About N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine

N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine (PubChem CID 62555270) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
PubChem CID62555270
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC NameN-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCN(CCNCC1CCCCC1)CCOC
InChIInChI=1S/C16H34N2O2/c1-19-13-6-10-18(12-14-20-2)11-9-17-15-16-7-4-3-5-8-16/h16-17H,3-15H2,1-2H3
InChIKeySDSNOPAXIJRIMI-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62561222
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
CID 63503881
3-cyclopentyl-N,N-bis(2-methoxyethyl)propan-1-amine
CID 78870866
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
N-cyclohexyl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62575118
1-cyclohexyl-2-[2-methoxyethyl(3-methoxypropyl)amino]ethanone
CID 104750189
N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 107402185
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 55089985
N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 63503578
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine (CID 62555270) is N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine is COCCCN(CCNCC1CCCCC1)CCOC.
What is the InChIKey of N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
The InChIKey is SDSNOPAXIJRIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-19-13-6-10-18(12-14-20-2)11-9-17-15-16-7-4-3-5-8-16/h16-17H,3-15H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine has a molecular weight of 286.46 g/mol, XLogP of 2.14, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 62555270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).