4-(azepan-1-yl)-2-methylpentan-2-ol

C12H25NO — CID 130905448

IUPAC4-(azepan-1-yl)-2-methylpentan-2-ol
SMILESCC(CC(C)(C)O)N1CCCCCC1
InChIInChI=1S/C12H25NO/c1-11(10-12(2,3)14)13-8-6-4-5-7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyXDJPVWSSMOIDAF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds3

About 4-(azepan-1-yl)-2-methylpentan-2-ol

4-(azepan-1-yl)-2-methylpentan-2-ol (PubChem CID 130905448) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(azepan-1-yl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name4-(azepan-1-yl)-2-methylpentan-2-ol
PubChem CID130905448
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(azepan-1-yl)-2-methylpentan-2-ol
SMILESCC(CC(C)(C)O)N1CCCCCC1
InChIInChI=1S/C12H25NO/c1-11(10-12(2,3)14)13-8-6-4-5-7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyXDJPVWSSMOIDAF-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylpentan-2-yl)azepane
CID 130352451
2-amino-4-(azocan-1-yl)-2-methylpentan-1-ol
CID 64798818
2-methyl-4-(2-piperidin-1-ylpropylamino)butan-2-ol
CID 79361764
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
2-amino-2-methyl-4-pyrrolidin-1-ylpentanamide
CID 64726767
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
methanol;2-pyrrolidin-1-ylpropan-1-ol
CID 172620475
4-(azepan-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 64697350
1-(4-methylpentan-2-yl)pyrrolidine
CID 59761841
1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane
CID 69225763
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-2-methylpentan-2-ol?
The IUPAC name of 4-(azepan-1-yl)-2-methylpentan-2-ol (CID 130905448) is 4-(azepan-1-yl)-2-methylpentan-2-ol.
What is the SMILES notation for 4-(azepan-1-yl)-2-methylpentan-2-ol?
The canonical SMILES for 4-(azepan-1-yl)-2-methylpentan-2-ol is CC(CC(C)(C)O)N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-2-methylpentan-2-ol?
The InChIKey is XDJPVWSSMOIDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(10-12(2,3)14)13-8-6-4-5-7-9-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 4-(azepan-1-yl)-2-methylpentan-2-ol?
4-(azepan-1-yl)-2-methylpentan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-2-methylpentan-2-ol is sourced from PubChem (CID 130905448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).