2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile

C14H25N3O — CID 66054814

IUPAC2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile
SMILESCN(C)CC1CC(O)CN1C1CCCCC1C#N
InChIInChI=1S/C14H25N3O/c1-16(2)9-12-7-13(18)10-17(12)14-6-4-3-5-11(14)8-15/h11-14,18H,3-7,9-10H2,1-2H3
InChIKeyVFLKNOLQYRVQKO-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.07
Rot. Bonds3

About 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile

2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile (PubChem CID 66054814) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile
PubChem CID66054814
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile
SMILESCN(C)CC1CC(O)CN1C1CCCCC1C#N
InChIInChI=1S/C14H25N3O/c1-16(2)9-12-7-13(18)10-17(12)14-6-4-3-5-11(14)8-15/h11-14,18H,3-7,9-10H2,1-2H3
InChIKeyVFLKNOLQYRVQKO-UHFFFAOYSA-N
XLogP1.07
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile (CID 66054814) is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile is CN(C)CC1CC(O)CN1C1CCCCC1C#N.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is VFLKNOLQYRVQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16(2)9-12-7-13(18)10-17(12)14-6-4-3-5-11(14)8-15/h11-14,18H,3-7,9-10H2,1-2H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile?
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 251.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 66054814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).