4-methyl-3-(oxepan-4-ylamino)pentan-1-ol

C12H25NO2 — CID 103894941

IUPAC4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
SMILESCC(C)C(CCO)NC1CCCOCC1
InChIInChI=1S/C12H25NO2/c1-10(2)12(5-7-14)13-11-4-3-8-15-9-6-11/h10-14H,3-9H2,1-2H3
InChIKeyUHEUSHWIEBTCOZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds5

About 4-methyl-3-(oxepan-4-ylamino)pentan-1-ol

4-methyl-3-(oxepan-4-ylamino)pentan-1-ol (PubChem CID 103894941) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-methyl-3-(oxepan-4-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
PubChem CID103894941
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
SMILESCC(C)C(CCO)NC1CCCOCC1
InChIInChI=1S/C12H25NO2/c1-10(2)12(5-7-14)13-11-4-3-8-15-9-6-11/h10-14H,3-9H2,1-2H3
InChIKeyUHEUSHWIEBTCOZ-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(oxepan-4-ylamino)butan-1-ol
CID 79254168
3-(azepan-4-ylamino)-4-methylpentan-1-ol
CID 106348666
N-(1-methoxy-4-methylpentan-3-yl)oxan-4-amine
CID 115710262
3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115656026
(3R)-3-(oxan-3-ylamino)butan-1-ol
CID 103871769
4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol
CID 114244648
3-methyl-2-(oxolan-3-ylamino)butan-1-ol
CID 79254853
4-methyl-3-(oxolan-3-ylmethylamino)pentan-1-ol
CID 115887731
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115724563
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol
CID 106348831
4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol
CID 115724586

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(oxepan-4-ylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(oxepan-4-ylamino)pentan-1-ol (CID 103894941) is 4-methyl-3-(oxepan-4-ylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(oxepan-4-ylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(oxepan-4-ylamino)pentan-1-ol is CC(C)C(CCO)NC1CCCOCC1.
What is the InChIKey of 4-methyl-3-(oxepan-4-ylamino)pentan-1-ol?
The InChIKey is UHEUSHWIEBTCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)12(5-7-14)13-11-4-3-8-15-9-6-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 4-methyl-3-(oxepan-4-ylamino)pentan-1-ol?
4-methyl-3-(oxepan-4-ylamino)pentan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(oxepan-4-ylamino)pentan-1-ol is sourced from PubChem (CID 103894941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).