1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C14H27N3O — CID 66052234

IUPAC1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILES[H]/N=C(\C1CCCCC1)N1CC(O)CC1CN(C)C
InChIInChI=1S/C14H27N3O/c1-16(2)9-12-8-13(18)10-17(12)14(15)11-6-4-3-5-7-11/h11-13,15,18H,3-10H2,1-2H3/b15-14+
InChIKeyZBMAFSIBIYJOES-CCEZHUSRSA-N
MW253.39 g/mol
LogP1.54
Rot. Bonds3

About 1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66052234) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66052234
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILES[H]/N=C(\C1CCCCC1)N1CC(O)CC1CN(C)C
InChIInChI=1S/C14H27N3O/c1-16(2)9-12-8-13(18)10-17(12)14(15)11-6-4-3-5-7-11/h11-13,15,18H,3-10H2,1-2H3/b15-14+
InChIKeyZBMAFSIBIYJOES-CCEZHUSRSA-N
XLogP1.54
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66052234) is 1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is [H]/N=C(\C1CCCCC1)N1CC(O)CC1CN(C)C.
What is the InChIKey of 1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is ZBMAFSIBIYJOES-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16(2)9-12-8-13(18)10-17(12)14(15)11-6-4-3-5-7-11/h11-13,15,18H,3-10H2,1-2H3/b15-14+.
What are the key properties of 1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 253.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66052234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).