2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine

C13H26N2O — CID 114466164

IUPAC2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CC)(CN)C1CC1
InChIInChI=1S/C13H26N2O/c1-4-13(10-14,12-5-6-12)15-7-8-16-9-11(2)3/h12,15H,2,4-10,14H2,1,3H3
InChIKeyFBRSKUQHVCJQQW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.69
Rot. Bonds9

About 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine

2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (PubChem CID 114466164) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
PubChem CID114466164
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CC)(CN)C1CC1
InChIInChI=1S/C13H26N2O/c1-4-13(10-14,12-5-6-12)15-7-8-16-9-11(2)3/h12,15H,2,4-10,14H2,1,3H3
InChIKeyFBRSKUQHVCJQQW-UHFFFAOYSA-N
XLogP1.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114466706
2-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 64919093
N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562425
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103563190
1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 103563191
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropan-1-amine
CID 106661390
2-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 108422717
1-(aminomethyl)-3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 113589208
1-(aminomethyl)-4-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113589217
1-(aminomethyl)-3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113589221
2-ethyl-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 113589228
1-(aminomethyl)-2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113589232

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (CID 114466164) is 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is C=C(C)COCCNC(CC)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The InChIKey is FBRSKUQHVCJQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(10-14,12-5-6-12)15-7-8-16-9-11(2)3/h12,15H,2,4-10,14H2,1,3H3.
What are the key properties of 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is sourced from PubChem (CID 114466164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).