N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine

C17H36N2O2 — CID 82944024

IUPACN',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCCOCCN(CCNC1CCCC(C)C1)CCOCC
InChIInChI=1S/C17H36N2O2/c1-4-20-13-11-19(12-14-21-5-2)10-9-18-17-8-6-7-16(3)15-17/h16-18H,4-15H2,1-3H3
InChIKeyDVYFZMWMIOOLDM-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.53
Rot. Bonds12

About N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine

N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 82944024) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
PubChem CID82944024
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC NameN',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCCOCCN(CCNC1CCCC(C)C1)CCOCC
InChIInChI=1S/C17H36N2O2/c1-4-20-13-11-19(12-14-21-5-2)10-9-18-17-8-6-7-16(3)15-17/h16-18H,4-15H2,1-3H3
InChIKeyDVYFZMWMIOOLDM-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.53
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

trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
N',N'-bis(2-ethoxyethyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 82943267
N-cycloheptyl-N'-(2-ethoxyethyl)-N'-ethylethane-1,2-diamine
CID 63690919
N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63691083
N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62556126
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N'-cyclopentyl-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62576013
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
N'-cyclopropyl-N'-(2-methoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62553966
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
CID 82940250

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine (CID 82944024) is N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine is CCOCCN(CCNC1CCCC(C)C1)CCOCC.
What is the InChIKey of N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is DVYFZMWMIOOLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-4-20-13-11-19(12-14-21-5-2)10-9-18-17-8-6-7-16(3)15-17/h16-18H,4-15H2,1-3H3.
What are the key properties of N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine?
N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 300.49 g/mol, XLogP of 2.53, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 82944024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).