3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol

C11H22N2O — CID 106115263

IUPAC3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1=NCCC1
InChIInChI=1S/C11H22N2O/c1-2-4-10(6-8-14)9-13-11-5-3-7-12-11/h10,14H,2-9H2,1H3,(H,12,13)
InChIKeyGJTPTIMPKIMTQS-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.57
Rot. Bonds6

About 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol

3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol (PubChem CID 106115263) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol
PubChem CID106115263
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1=NCCC1
InChIInChI=1S/C11H22N2O/c1-2-4-10(6-8-14)9-13-11-5-3-7-12-11/h10,14H,2-9H2,1H3,(H,12,13)
InChIKeyGJTPTIMPKIMTQS-UHFFFAOYSA-N
XLogP1.57
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 53796168
N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide
CID 59956883
4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol
CID 67717067
3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-1-ol
CID 70395438
3-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-1-ol
CID 70395898
3-(4,5-dihydro-1H-imidazol-2-yl)pentadecan-1-ol
CID 70396072
3-(4,5-dihydro-1H-imidazol-2-yl)heptadecan-1-ol
CID 70396143
4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol
CID 138488014
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CID 138488016
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CID 138488022
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CID 138488024

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol (CID 106115263) is 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol is CCCC(CCO)CNC1=NCCC1.
What is the InChIKey of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol?
The InChIKey is GJTPTIMPKIMTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-4-10(6-8-14)9-13-11-5-3-7-12-11/h10,14H,2-9H2,1H3,(H,12,13).
What are the key properties of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol?
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 106115263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).