N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine

C17H36N2O2 — CID 82940250

IUPACN-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
SMILESCCOCCN(CCCCCCNC1CC1)CCOCC
InChIInChI=1S/C17H36N2O2/c1-3-20-15-13-19(14-16-21-4-2)12-8-6-5-7-11-18-17-9-10-17/h17-18H,3-16H2,1-2H3
InChIKeyNBAHUVXWIGUKCW-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.67
Rot. Bonds16

About N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine

N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine (PubChem CID 82940250) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
PubChem CID82940250
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC NameN-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
SMILESCCOCCN(CCCCCCNC1CC1)CCOCC
InChIInChI=1S/C17H36N2O2/c1-3-20-15-13-19(14-16-21-4-2)12-8-6-5-7-11-18-17-9-10-17/h17-18H,3-16H2,1-2H3
InChIKeyNBAHUVXWIGUKCW-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.67
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',N'-bis(2-ethoxyethyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 82943267
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63691083
N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine
CID 174152095
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
N-(5-ethoxypentyl)piperidin-4-amine
CID 164907072
N-cyclopropyl-N'-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 65175083
N-cycloheptyl-N'-(2-ethoxyethyl)-N'-ethylethane-1,2-diamine
CID 63690919
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
CID 81074188
N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 82944024

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine?
The IUPAC name of N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine (CID 82940250) is N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine.
What is the SMILES notation for N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine?
The canonical SMILES for N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine is CCOCCN(CCCCCCNC1CC1)CCOCC.
What is the InChIKey of N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine?
The InChIKey is NBAHUVXWIGUKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-3-20-15-13-19(14-16-21-4-2)12-8-6-5-7-11-18-17-9-10-17/h17-18H,3-16H2,1-2H3.
What are the key properties of N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine?
N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine has a molecular weight of 300.49 g/mol, XLogP of 2.67, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine is sourced from PubChem (CID 82940250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).