N-(cyclooctylmethyl)-3-methylaniline

C16H25N — CID 114207672

IUPACN-(cyclooctylmethyl)-3-methylaniline
SMILESCc1cccc(NCC2CCCCCCC2)c1
InChIInChI=1S/C16H25N/c1-14-8-7-11-16(12-14)17-13-15-9-5-3-2-4-6-10-15/h7-8,11-12,15,17H,2-6,9-10,13H2,1H3
InChIKeyOZILZLXTACLDJT-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.77
Rot. Bonds3

About N-(cyclooctylmethyl)-3-methylaniline

N-(cyclooctylmethyl)-3-methylaniline (PubChem CID 114207672) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-3-methylaniline.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-3-methylaniline
PubChem CID114207672
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(cyclooctylmethyl)-3-methylaniline
SMILESCc1cccc(NCC2CCCCCCC2)c1
InChIInChI=1S/C16H25N/c1-14-8-7-11-16(12-14)17-13-15-9-5-3-2-4-6-10-15/h7-8,11-12,15,17H,2-6,9-10,13H2,1H3
InChIKeyOZILZLXTACLDJT-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(azetidin-3-ylmethyl)-3-methylaniline
CID 84655686
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
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CID 18778522
3-methyl-N-(oxan-2-ylmethyl)aniline
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N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43435745
N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
CID 43733000
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630
N-(cyclohexylmethyl)-4-iodo-3-methylaniline
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Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-3-methylaniline?
The IUPAC name of N-(cyclooctylmethyl)-3-methylaniline (CID 114207672) is N-(cyclooctylmethyl)-3-methylaniline.
What is the SMILES notation for N-(cyclooctylmethyl)-3-methylaniline?
The canonical SMILES for N-(cyclooctylmethyl)-3-methylaniline is Cc1cccc(NCC2CCCCCCC2)c1.
What is the InChIKey of N-(cyclooctylmethyl)-3-methylaniline?
The InChIKey is OZILZLXTACLDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-14-8-7-11-16(12-14)17-13-15-9-5-3-2-4-6-10-15/h7-8,11-12,15,17H,2-6,9-10,13H2,1H3.
What are the key properties of N-(cyclooctylmethyl)-3-methylaniline?
N-(cyclooctylmethyl)-3-methylaniline has a molecular weight of 231.38 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-3-methylaniline is sourced from PubChem (CID 114207672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).