[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol

C16H32N2O — CID 111114732

IUPAC[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCCNC1CCCCCC1
InChIInChI=1S/C16H32N2O/c19-14-16-10-7-13-18(16)12-6-5-11-17-15-8-3-1-2-4-9-15/h15-17,19H,1-14H2
InChIKeyOVLXJMAPLFSIMJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.54
Rot. Bonds7

About [1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol

[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol (PubChem CID 111114732) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol
PubChem CID111114732
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCCNC1CCCCCC1
InChIInChI=1S/C16H32N2O/c19-14-16-10-7-13-18(16)12-6-5-11-17-15-8-3-1-2-4-9-15/h15-17,19H,1-14H2
InChIKeyOVLXJMAPLFSIMJ-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.54
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

N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine
CID 113441998
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
CID 115905715
[(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol
CID 97231893
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
[1-(5-sulfanylpentyl)azepan-2-yl]methanol
CID 116640612
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542

Frequently Asked Questions

What is the IUPAC name of [1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol (CID 111114732) is [1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CCCCNC1CCCCCC1.
What is the InChIKey of [1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol?
The InChIKey is OVLXJMAPLFSIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c19-14-16-10-7-13-18(16)12-6-5-11-17-15-8-3-1-2-4-9-15/h15-17,19H,1-14H2.
What are the key properties of [1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol?
[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111114732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).