6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol

C11H24N2O — CID 103815424

IUPAC6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
SMILESNCC1CCN(CCCCCCO)C1
InChIInChI=1S/C11H24N2O/c12-9-11-5-7-13(10-11)6-3-1-2-4-8-14/h11,14H,1-10,12H2
InChIKeyCFSBZJHIASWXBF-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.82
Rot. Bonds7

About 6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol

6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol (PubChem CID 103815424) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
PubChem CID103815424
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
SMILESNCC1CCN(CCCCCCO)C1
InChIInChI=1S/C11H24N2O/c12-9-11-5-7-13(10-11)6-3-1-2-4-8-14/h11,14H,1-10,12H2
InChIKeyCFSBZJHIASWXBF-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.82
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

6-(3-ethylpyrrolidin-1-yl)hexan-1-ol
CID 103748114
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
6-(4-aminopiperidin-1-yl)hexan-1-ol
CID 70276836
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 62063600
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
4-[3-(2-aminoethyl)piperidin-1-yl]butan-1-ol
CID 63764428
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
CID 63891241
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983
2-[1-(5-hydroxypentyl)piperidin-4-yl]acetamide
CID 62228799
5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
CID 115873446

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol?
The IUPAC name of 6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol (CID 103815424) is 6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol?
The canonical SMILES for 6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol is NCC1CCN(CCCCCCO)C1.
What is the InChIKey of 6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol?
The InChIKey is CFSBZJHIASWXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c12-9-11-5-7-13(10-11)6-3-1-2-4-8-14/h11,14H,1-10,12H2.
What are the key properties of 6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol?
6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol is sourced from PubChem (CID 103815424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).