4-(2-ethylhexyl)-1-methylazepan-4-ol

C15H31NO — CID 65075552

IUPAC4-(2-ethylhexyl)-1-methylazepan-4-ol
SMILESCCCCC(CC)CC1(O)CCCN(C)CC1
InChIInChI=1S/C15H31NO/c1-4-6-8-14(5-2)13-15(17)9-7-11-16(3)12-10-15/h14,17H,4-13H2,1-3H3
InChIKeyQHOUFVMIDNFTCI-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds6

About 4-(2-ethylhexyl)-1-methylazepan-4-ol

4-(2-ethylhexyl)-1-methylazepan-4-ol (PubChem CID 65075552) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-(2-ethylhexyl)-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-(2-ethylhexyl)-1-methylazepan-4-ol
PubChem CID65075552
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-(2-ethylhexyl)-1-methylazepan-4-ol
SMILESCCCCC(CC)CC1(O)CCCN(C)CC1
InChIInChI=1S/C15H31NO/c1-4-6-8-14(5-2)13-15(17)9-7-11-16(3)12-10-15/h14,17H,4-13H2,1-3H3
InChIKeyQHOUFVMIDNFTCI-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044
1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
CID 65085643
1-(2-ethylhexyl)-4-propylcycloheptan-1-ol
CID 65090653
3-(2-ethylhexyl)pyrrolidin-3-ol
CID 63587547
3-amino-1-(2-ethylhexyl)cyclobutan-1-ol
CID 80561259
4-butyl-1-methylpiperidin-4-ol;ethane
CID 171492369
3-butyl-1-methylpyrrolidin-3-ol
CID 65146565
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane
CID 123492953
3-(2-ethylhexyl)-5-methylthiolan-3-ol
CID 79950398
(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexyl)-1-methylazepan-4-ol?
The IUPAC name of 4-(2-ethylhexyl)-1-methylazepan-4-ol (CID 65075552) is 4-(2-ethylhexyl)-1-methylazepan-4-ol.
What is the SMILES notation for 4-(2-ethylhexyl)-1-methylazepan-4-ol?
The canonical SMILES for 4-(2-ethylhexyl)-1-methylazepan-4-ol is CCCCC(CC)CC1(O)CCCN(C)CC1.
What is the InChIKey of 4-(2-ethylhexyl)-1-methylazepan-4-ol?
The InChIKey is QHOUFVMIDNFTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-8-14(5-2)13-15(17)9-7-11-16(3)12-10-15/h14,17H,4-13H2,1-3H3.
What are the key properties of 4-(2-ethylhexyl)-1-methylazepan-4-ol?
4-(2-ethylhexyl)-1-methylazepan-4-ol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexyl)-1-methylazepan-4-ol is sourced from PubChem (CID 65075552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).