N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine

C16H34N2O3 — CID 104563816

IUPACN'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCCCCOCCOCCOCCN(C)CCNC1CC1
InChIInChI=1S/C16H34N2O3/c1-3-4-10-19-12-14-21-15-13-20-11-9-18(2)8-7-17-16-5-6-16/h16-17H,3-15H2,1-2H3
InChIKeyWDLDWLRRMQLEMH-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.52
Rot. Bonds16

About N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine

N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine (PubChem CID 104563816) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
PubChem CID104563816
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC NameN'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCCCCOCCOCCOCCN(C)CCNC1CC1
InChIInChI=1S/C16H34N2O3/c1-3-4-10-19-12-14-21-15-13-20-11-9-18(2)8-7-17-16-5-6-16/h16-17H,3-15H2,1-2H3
InChIKeyWDLDWLRRMQLEMH-UHFFFAOYSA-N
XLogP1.52
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N'-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 65175083
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55002465
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379
N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 62574766
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
4-(3-butoxypropylamino)cyclohexan-1-ol
CID 106595163
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409199
N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65083762
N'-(2-butoxyethyl)-N'-methylpropane-1,3-diamine
CID 61483382
N-(3-butoxypropyl)piperidin-4-amine
CID 20735437

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine (CID 104563816) is N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine is CCCCOCCOCCOCCN(C)CCNC1CC1.
What is the InChIKey of N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The InChIKey is WDLDWLRRMQLEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-3-4-10-19-12-14-21-15-13-20-11-9-18(2)8-7-17-16-5-6-16/h16-17H,3-15H2,1-2H3.
What are the key properties of N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine has a molecular weight of 302.46 g/mol, XLogP of 1.52, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 104563816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).