3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine

C11H22N2O — CID 114465673

IUPAC3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine
SMILESC=C(C)COCCNC1CCC(N)C1
InChIInChI=1S/C11H22N2O/c1-9(2)8-14-6-5-13-11-4-3-10(12)7-11/h10-11,13H,1,3-8,12H2,2H3
InChIKeySKTLLJPUDIIUTF-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.05
Rot. Bonds6

About 3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine

3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine (PubChem CID 114465673) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine
PubChem CID114465673
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine
SMILESC=C(C)COCCNC1CCC(N)C1
InChIInChI=1S/C11H22N2O/c1-9(2)8-14-6-5-13-11-4-3-10(12)7-11/h10-11,13H,1,3-8,12H2,2H3
InChIKeySKTLLJPUDIIUTF-UHFFFAOYSA-N
XLogP1.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.05
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

N-[2-(2-methylprop-2-enoxy)ethyl]hexan-1-amine
CID 114465725
N-(2-prop-2-enoxyethyl)cyclopentanamine
CID 62571606
5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine
CID 103391180
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103914528
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine
CID 103921985
2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639503
1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 113343766
N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine
CID 113350877
N-[2-(2-methylprop-2-enoxy)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 113373392
N-[2-(2-methylprop-2-enoxy)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 113589144
1-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]azepan-4-amine
CID 113589145
1-(azepan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 113589204

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine (CID 114465673) is 3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine is C=C(C)COCCNC1CCC(N)C1.
What is the InChIKey of 3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine?
The InChIKey is SKTLLJPUDIIUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)8-14-6-5-13-11-4-3-10(12)7-11/h10-11,13H,1,3-8,12H2,2H3.
What are the key properties of 3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine?
3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine has a molecular weight of 198.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 114465673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).