N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine

C13H28N2O — CID 107402185

IUPACN'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCCN(CCNCCCOC)CC1CCC1
InChIInChI=1S/C13H28N2O/c1-3-15(12-13-6-4-7-13)10-9-14-8-5-11-16-2/h13-14H,3-12H2,1-2H3
InChIKeyTVSXFSCZDBRYSW-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds10

About N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine

N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine (PubChem CID 107402185) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
PubChem CID107402185
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCCN(CCNCCCOC)CC1CCC1
InChIInChI=1S/C13H28N2O/c1-3-15(12-13-6-4-7-13)10-9-14-8-5-11-16-2/h13-14H,3-12H2,1-2H3
InChIKeyTVSXFSCZDBRYSW-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006
N'-(2-ethoxyethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 63692336
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575773
N-(2-cyclopentylethyl)-3-methoxypropan-1-amine
CID 54856807
N'-(cyclohexylmethyl)-N'-ethyl-N-(3-phenylsulfanylpropyl)ethane-1,2-diamine
CID 118584861
N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62574226
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine
CID 104648606
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79482603
N-(3-methoxypropyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63234739
N'-(cyclobutylmethyl)-N-cyclohexyl-N'-ethylethane-1,2-diamine
CID 107402209
N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine
CID 106206340

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine (CID 107402185) is N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine is CCN(CCNCCCOC)CC1CCC1.
What is the InChIKey of N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine?
The InChIKey is TVSXFSCZDBRYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-15(12-13-6-4-7-13)10-9-14-8-5-11-16-2/h13-14H,3-12H2,1-2H3.
What are the key properties of N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine?
N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 107402185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).