3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol

C13H26N2O — CID 106115304

IUPAC3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1=NCCCCC1
InChIInChI=1S/C13H26N2O/c1-2-6-12(8-10-16)11-15-13-7-4-3-5-9-14-13/h12,16H,2-11H2,1H3,(H,14,15)
InChIKeyKORLBBSUGLDOGQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.35
Rot. Bonds6

About 3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol

3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol (PubChem CID 106115304) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol
PubChem CID106115304
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1=NCCCCC1
InChIInChI=1S/C13H26N2O/c1-2-6-12(8-10-16)11-15-13-7-4-3-5-9-14-13/h12,16H,2-11H2,1H3,(H,14,15)
InChIKeyKORLBBSUGLDOGQ-UHFFFAOYSA-N
XLogP2.35
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol with MolForge

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Related Compounds

N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide
CID 59956883
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
3-(4,5-dihydro-1H-imidazol-2-yl)icosan-1-ol
CID 174395453
2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol
CID 79503349
2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol
CID 79503444
2-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]cyclopentan-1-ol
CID 79503445
[2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentyl]methanol
CID 79503538
[2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentyl]methanol
CID 79503539
2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol
CID 79503622

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol (CID 106115304) is 3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol is CCCC(CCO)CNC1=NCCCCC1.
What is the InChIKey of 3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol?
The InChIKey is KORLBBSUGLDOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-6-12(8-10-16)11-15-13-7-4-3-5-9-14-13/h12,16H,2-11H2,1H3,(H,14,15).
What are the key properties of 3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol?
3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 106115304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).