1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol

C15H30N2O — CID 62942097

IUPAC1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCCNCC1(CN2CCC(O)C2)CCCCC1
InChIInChI=1S/C15H30N2O/c1-2-9-16-12-15(7-4-3-5-8-15)13-17-10-6-14(18)11-17/h14,16,18H,2-13H2,1H3
InChIKeyNQMDKBDSFXGIED-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds6

About 1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol

1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol (PubChem CID 62942097) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
PubChem CID62942097
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCCNCC1(CN2CCC(O)C2)CCCCC1
InChIInChI=1S/C15H30N2O/c1-2-9-16-12-15(7-4-3-5-8-15)13-17-10-6-14(18)11-17/h14,16,18H,2-13H2,1H3
InChIKeyNQMDKBDSFXGIED-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol (CID 62942097) is 1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol is CCCNCC1(CN2CCC(O)C2)CCCCC1.
What is the InChIKey of 1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The InChIKey is NQMDKBDSFXGIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-9-16-12-15(7-4-3-5-8-15)13-17-10-6-14(18)11-17/h14,16,18H,2-13H2,1H3.
What are the key properties of 1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62942097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).