1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol

C18H36N2O — CID 115967239

IUPAC1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCCCNCC1(CN2CCC(C(C)O)C2)CCCCCC1
InChIInChI=1S/C18H36N2O/c1-3-11-19-14-18(9-6-4-5-7-10-18)15-20-12-8-17(13-20)16(2)21/h16-17,19,21H,3-15H2,1-2H3
InChIKeyISPAGVMCSDKNSO-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.03
Rot. Bonds7

About 1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol

1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115967239) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID115967239
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCCCNCC1(CN2CCC(C(C)O)C2)CCCCCC1
InChIInChI=1S/C18H36N2O/c1-3-11-19-14-18(9-6-4-5-7-10-18)15-20-12-8-17(13-20)16(2)21/h16-17,19,21H,3-15H2,1-2H3
InChIKeyISPAGVMCSDKNSO-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967293
1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629475
N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 64581384
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 103538858
N-[[1-[(3-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 55051948
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102967363
[4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol
CID 81213477
N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 103502607
1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837816
N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 62257159
1-[1-[[1-(sulfanylmethyl)cycloheptyl]methyl]piperidin-4-yl]ethanol
CID 106839754
N-[[1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62772529

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol (CID 115967239) is 1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol is CCCNCC1(CN2CCC(C(C)O)C2)CCCCCC1.
What is the InChIKey of 1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ISPAGVMCSDKNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-11-19-14-18(9-6-4-5-7-10-18)15-20-12-8-17(13-20)16(2)21/h16-17,19,21H,3-15H2,1-2H3.
What are the key properties of 1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 296.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115967239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).