6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol

C18H30N2O — CID 103922220

IUPAC6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol
SMILESOCCCCCCNC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C18H30N2O/c21-15-7-2-1-6-12-19-18-11-14-20(16-18)13-10-17-8-4-3-5-9-17/h3-5,8-9,18-19,21H,1-2,6-7,10-16H2
InChIKeyPINTWYVPGMQIOK-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.45
Rot. Bonds10

About 6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol

6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol (PubChem CID 103922220) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol
PubChem CID103922220
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol
SMILESOCCCCCCNC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C18H30N2O/c21-15-7-2-1-6-12-19-18-11-14-20(16-18)13-10-17-8-4-3-5-9-17/h3-5,8-9,18-19,21H,1-2,6-7,10-16H2
InChIKeyPINTWYVPGMQIOK-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.45
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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Related Compounds

2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 110901793
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol (CID 103922220) is 6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol is OCCCCCCNC1CCN(CCc2ccccc2)C1.
What is the InChIKey of 6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol?
The InChIKey is PINTWYVPGMQIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c21-15-7-2-1-6-12-19-18-11-14-20(16-18)13-10-17-8-4-3-5-9-17/h3-5,8-9,18-19,21H,1-2,6-7,10-16H2.
What are the key properties of 6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol?
6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol is sourced from PubChem (CID 103922220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).