1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine

C10H18ClNO — CID 106439119

IUPAC1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine
SMILESCC(=CCl)COCC1(N)CCCC1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-13-8-10(12)4-2-3-5-10/h6H,2-5,7-8,12H2,1H3
InChIKeyVRNPZOIPJMDONL-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.42
Rot. Bonds4

About 1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine

1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine (PubChem CID 106439119) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine
PubChem CID106439119
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine
SMILESCC(=CCl)COCC1(N)CCCC1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-13-8-10(12)4-2-3-5-10/h6H,2-5,7-8,12H2,1H3
InChIKeyVRNPZOIPJMDONL-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine (CID 106439119) is 1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine is CC(=CCl)COCC1(N)CCCC1.
What is the InChIKey of 1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine?
The InChIKey is VRNPZOIPJMDONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(6-11)7-13-8-10(12)4-2-3-5-10/h6H,2-5,7-8,12H2,1H3.
What are the key properties of 1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine?
1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine has a molecular weight of 203.71 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine is sourced from PubChem (CID 106439119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).