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

C10H20N2O — CID 79503343

IUPAC2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol
SMILESCC(C)(O)CNC1=NCCCCC1
InChIInChI=1S/C10H20N2O/c1-10(2,13)8-12-9-6-4-3-5-7-11-9/h13H,3-8H2,1-2H3,(H,11,12)
InChIKeyBDGVPSPFSOCLEV-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.32
Rot. Bonds2

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

2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol (PubChem CID 79503343) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol
PubChem CID79503343
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol
SMILESCC(C)(O)CNC1=NCCCCC1
InChIInChI=1S/C10H20N2O/c1-10(2,13)8-12-9-6-4-3-5-7-11-9/h13H,3-8H2,1-2H3,(H,11,12)
InChIKeyBDGVPSPFSOCLEV-UHFFFAOYSA-N
XLogP1.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol
CID 20447247
N-(2-hydroxyethyl)-N'-methylpentanimidamide
CID 90250612
N,2-diethyl-2-hydroxy-N'-methylbutanimidamide
CID 118519212
1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol
CID 79503244
2-Methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol
CID 79503344
2-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propane-1,2-diol
CID 79503350
1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol
CID 79503438
2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-2-ol
CID 79503439
2-Methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol
CID 79503532
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol
CID 79503533
3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]pentan-3-ol
CID 79503624
3-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]pentan-3-ol
CID 79503625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol (CID 79503343) is 2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol is CC(C)(O)CNC1=NCCCCC1.
What is the InChIKey of 2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol?
The InChIKey is BDGVPSPFSOCLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,13)8-12-9-6-4-3-5-7-11-9/h13H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol?
2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-ol is sourced from PubChem (CID 79503343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).