2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol

C11H20ClNO — CID 130515085

IUPAC2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN)(C/C=C/Cl)C1O
InChIInChI=1S/C11H20ClNO/c1-10(2)5-6-11(8-13,9(10)14)4-3-7-12/h3,7,9,14H,4-6,8,13H2,1-2H3/b7-3+
InChIKeySGUBFCBKABPTSQ-XVNBXDOJSA-N
MW217.74 g/mol
LogP2.26
Rot. Bonds3

About 2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol

2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol (PubChem CID 130515085) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol
PubChem CID130515085
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN)(C/C=C/Cl)C1O
InChIInChI=1S/C11H20ClNO/c1-10(2)5-6-11(8-13,9(10)14)4-3-7-12/h3,7,9,14H,4-6,8,13H2,1-2H3/b7-3+
InChIKeySGUBFCBKABPTSQ-XVNBXDOJSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol (CID 130515085) is 2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol is CC1(C)CCC(CN)(C/C=C/Cl)C1O.
What is the InChIKey of 2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol?
The InChIKey is SGUBFCBKABPTSQ-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(2)5-6-11(8-13,9(10)14)4-3-7-12/h3,7,9,14H,4-6,8,13H2,1-2H3/b7-3+.
What are the key properties of 2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol?
2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol has a molecular weight of 217.74 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130515085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).