3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol

C12H24N2O — CID 106115284

IUPAC3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1=NCCCC1
InChIInChI=1S/C12H24N2O/c1-2-5-11(7-9-15)10-14-12-6-3-4-8-13-12/h11,15H,2-10H2,1H3,(H,13,14)
InChIKeyIZZQDUKCFRHHOK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.96
Rot. Bonds6

About 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol

3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol (PubChem CID 106115284) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol
PubChem CID106115284
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1=NCCCC1
InChIInChI=1S/C12H24N2O/c1-2-5-11(7-9-15)10-14-12-6-3-4-8-13-12/h11,15H,2-10H2,1H3,(H,13,14)
InChIKeyIZZQDUKCFRHHOK-UHFFFAOYSA-N
XLogP1.96
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 83177293
3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propane-1,2-diol
CID 79503151
3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]hexan-1-ol
CID 103827619
4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol
CID 79503813
1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol
CID 107152437
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
N-(4-methylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79006687
N-octyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 535175
5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-2-ol
CID 106131041
3-[[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]hexan-1-ol
CID 106113840
N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508860
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 104924549

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol (CID 106115284) is 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol is CCCC(CCO)CNC1=NCCCC1.
What is the InChIKey of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol?
The InChIKey is IZZQDUKCFRHHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-5-11(7-9-15)10-14-12-6-3-4-8-13-12/h11,15H,2-10H2,1H3,(H,13,14).
What are the key properties of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol?
3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 106115284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).