3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol

C8H18N2O — CID 105431062

IUPAC3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol
SMILESCN(C)CC1(O)CCC(N)C1
InChIInChI=1S/C8H18N2O/c1-10(2)6-8(11)4-3-7(9)5-8/h7,11H,3-6,9H2,1-2H3
InChIKeyDHQHFYSWHTYTTK-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds2

About 3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol

3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol (PubChem CID 105431062) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol
PubChem CID105431062
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol
SMILESCN(C)CC1(O)CCC(N)C1
InChIInChI=1S/C8H18N2O/c1-10(2)6-8(11)4-3-7(9)5-8/h7,11H,3-6,9H2,1-2H3
InChIKeyDHQHFYSWHTYTTK-UHFFFAOYSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol (CID 105431062) is 3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol is CN(C)CC1(O)CCC(N)C1.
What is the InChIKey of 3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol?
The InChIKey is DHQHFYSWHTYTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(2)6-8(11)4-3-7(9)5-8/h7,11H,3-6,9H2,1-2H3.
What are the key properties of 3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol?
3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(dimethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 105431062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).