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

C12H25NO — CID 104549268

IUPAC2-(azepan-1-yl)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)N1CCCCCC1
InChIInChI=1S/C12H25NO/c1-11(2)9-12(10-14)13-7-5-3-4-6-8-13/h11-12,14H,3-10H2,1-2H3
InChIKeyDLVNZZWBTIZHIJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds4

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

2-(azepan-1-yl)-4-methylpentan-1-ol (PubChem CID 104549268) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(azepan-1-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(azepan-1-yl)-4-methylpentan-1-ol
PubChem CID104549268
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(azepan-1-yl)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)N1CCCCCC1
InChIInChI=1S/C12H25NO/c1-11(2)9-12(10-14)13-7-5-3-4-6-8-13/h11-12,14H,3-10H2,1-2H3
InChIKeyDLVNZZWBTIZHIJ-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-2-thiomorpholin-4-ylpentan-1-ol
CID 172588652
6-methyl-4-piperidin-1-ylheptanoic acid
CID 112517978
3-amino-2-(azocan-1-yl)propan-1-ol
CID 104710806
N,4-dimethyl-2-pyrrolidin-1-ylpentan-1-amine
CID 19439849
N,5-dimethyl-3-piperidin-1-ylhexan-1-amine
CID 112517776
6-methyl-4-pyrrolidin-1-ylheptanoic acid
CID 112517782
1-(4-methylpentan-2-yl)pyrrolidine
CID 59761841
2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol
CID 116816702
2-[4-(2-methylpropyl)-1,4-diazepan-1-yl]propane-1,3-diol
CID 50962485
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
methanol;2-pyrrolidin-1-ylpropan-1-ol
CID 172620475
4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
CID 70074809

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-4-methylpentan-1-ol?
The IUPAC name of 2-(azepan-1-yl)-4-methylpentan-1-ol (CID 104549268) is 2-(azepan-1-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(azepan-1-yl)-4-methylpentan-1-ol?
The canonical SMILES for 2-(azepan-1-yl)-4-methylpentan-1-ol is CC(C)CC(CO)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-4-methylpentan-1-ol?
The InChIKey is DLVNZZWBTIZHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)9-12(10-14)13-7-5-3-4-6-8-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-4-methylpentan-1-ol?
2-(azepan-1-yl)-4-methylpentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 104549268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).