N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine

C10H20N2O — CID 77110360

IUPACN'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine
SMILESCOCCN(CC=CCN)C1CC1
InChIInChI=1S/C10H20N2O/c1-13-9-8-12(10-4-5-10)7-3-2-6-11/h2-3,10H,4-9,11H2,1H3
InChIKeyCLRMNOAMPLZLII-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.61
Rot. Bonds7

About N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine

N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine (PubChem CID 77110360) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine
PubChem CID77110360
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine
SMILESCOCCN(CC=CCN)C1CC1
InChIInChI=1S/C10H20N2O/c1-13-9-8-12(10-4-5-10)7-3-2-6-11/h2-3,10H,4-9,11H2,1H3
InChIKeyCLRMNOAMPLZLII-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-[cyclopropyl(2-methoxyethyl)amino]but-2-enoate
CID 80548905
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821
N-cyclopropyl-N-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 80544285
N'-cyclopropyl-2-ethyl-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 62259426
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 62259601
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine
CID 103340388
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile
CID 63912909
1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine
CID 62624688
N'-cyclopropyl-N-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451815
2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
CID 43588483

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine?
The IUPAC name of N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine (CID 77110360) is N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine is COCCN(CC=CCN)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine?
The InChIKey is CLRMNOAMPLZLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-9-8-12(10-4-5-10)7-3-2-6-11/h2-3,10H,4-9,11H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine?
N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 77110360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).