2-(cycloheptylmethyl)-5-methylaniline

C15H23N — CID 105471815

IUPAC2-(cycloheptylmethyl)-5-methylaniline
SMILESCc1ccc(CC2CCCCCC2)c(N)c1
InChIInChI=1S/C15H23N/c1-12-8-9-14(15(16)10-12)11-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11,16H2,1H3
InChIKeyPDNBKLVUQNAZOO-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.09
Rot. Bonds2

About 2-(cycloheptylmethyl)-5-methylaniline

2-(cycloheptylmethyl)-5-methylaniline (PubChem CID 105471815) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-(cycloheptylmethyl)-5-methylaniline.

Molecular Properties

Compound Name2-(cycloheptylmethyl)-5-methylaniline
PubChem CID105471815
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-(cycloheptylmethyl)-5-methylaniline
SMILESCc1ccc(CC2CCCCCC2)c(N)c1
InChIInChI=1S/C15H23N/c1-12-8-9-14(15(16)10-12)11-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11,16H2,1H3
InChIKeyPDNBKLVUQNAZOO-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

O-Toluidine
CID 7242
2,4-Dimethylaniline
CID 7250
2,5-Diaminotoluene
CID 7252
2-Aminobiphenyl
CID 7015
3,5-Dimethylaniline
CID 7949
2,5-Dimethylaniline
CID 7259
m-Toluidine
CID 7934
2,4,5-Trimethylaniline
CID 8717
4-Isopropylaniline
CID 7464
2-Toluidine hydrochloride
CID 12484
Diisopropylaniline
CID 32484
2,6-Diethylaniline
CID 11369

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethyl)-5-methylaniline?
The IUPAC name of 2-(cycloheptylmethyl)-5-methylaniline (CID 105471815) is 2-(cycloheptylmethyl)-5-methylaniline.
What is the SMILES notation for 2-(cycloheptylmethyl)-5-methylaniline?
The canonical SMILES for 2-(cycloheptylmethyl)-5-methylaniline is Cc1ccc(CC2CCCCCC2)c(N)c1.
What is the InChIKey of 2-(cycloheptylmethyl)-5-methylaniline?
The InChIKey is PDNBKLVUQNAZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-8-9-14(15(16)10-12)11-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11,16H2,1H3.
What are the key properties of 2-(cycloheptylmethyl)-5-methylaniline?
2-(cycloheptylmethyl)-5-methylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethyl)-5-methylaniline is sourced from PubChem (CID 105471815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).