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

C12H24N2O — CID 106175377

IUPAC3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol
SMILESCCC(C)(CCO)NC1=NCCCCC1
InChIInChI=1S/C12H24N2O/c1-3-12(2,8-10-15)14-11-7-5-4-6-9-13-11/h15H,3-10H2,1-2H3,(H,13,14)
InChIKeyVLHSPCILUOPANL-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.10
Rot. Bonds4

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

3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol (PubChem CID 106175377) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol
PubChem CID106175377
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol
SMILESCCC(C)(CCO)NC1=NCCCCC1
InChIInChI=1S/C12H24N2O/c1-3-12(2,8-10-15)14-11-7-5-4-6-9-13-11/h15H,3-10H2,1-2H3,(H,13,14)
InChIKeyVLHSPCILUOPANL-UHFFFAOYSA-N
XLogP2.10
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-1-ol
CID 79503529
2-Methyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 79503620
2-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol
CID 79504367
3-methyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-1-ol
CID 79504375
2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol
CID 79507799
[1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol
CID 79507841
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-ethylbutan-1-ol
CID 79507948
2-ethyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-1-ol
CID 79507949
2-Ethyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 79508054
3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]pentan-1-ol
CID 80289477
4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol
CID 80294904
2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propane-1,3-diol
CID 81963351

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol (CID 106175377) is 3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol is CCC(C)(CCO)NC1=NCCCCC1.
What is the InChIKey of 3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol?
The InChIKey is VLHSPCILUOPANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-12(2,8-10-15)14-11-7-5-4-6-9-13-11/h15H,3-10H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol?
3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol is sourced from PubChem (CID 106175377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).