N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine

C12H26N2O2 — CID 103184116

IUPACN'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
SMILESCOCCCOCCN(CCN)C1CCC1
InChIInChI=1S/C12H26N2O2/c1-15-9-3-10-16-11-8-14(7-6-13)12-4-2-5-12/h12H,2-11,13H2,1H3
InChIKeyMFLQOVZQAXONLW-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.85
Rot. Bonds10

About N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine

N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine (PubChem CID 103184116) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
PubChem CID103184116
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
SMILESCOCCCOCCN(CCN)C1CCC1
InChIInChI=1S/C12H26N2O2/c1-15-9-3-10-16-11-8-14(7-6-13)12-4-2-5-12/h12H,2-11,13H2,1H3
InChIKeyMFLQOVZQAXONLW-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.85
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'-cyclopentyl-N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 104561146
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine
CID 104567265
2-[cyclohexyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 104566071
N-[2-(2-aminoethoxy)ethyl]-N-ethylcyclohexanamine
CID 19098628
N'-cyclopropyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 106450873
N'-cyclohexyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 63759697
N'-cyclohexyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine
CID 112591848
4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180368
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104567253
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 103181621
N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine
CID 103413097

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine (CID 103184116) is N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine is COCCCOCCN(CCN)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine?
The InChIKey is MFLQOVZQAXONLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-15-9-3-10-16-11-8-14(7-6-13)12-4-2-5-12/h12H,2-11,13H2,1H3.
What are the key properties of N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine?
N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 103184116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).