N-(2-cycloheptyloxypropyl)aniline

C16H25NO — CID 55093129

IUPACN-(2-cycloheptyloxypropyl)aniline
SMILESCC(CNc1ccccc1)OC1CCCCCC1
InChIInChI=1S/C16H25NO/c1-14(13-17-15-9-5-4-6-10-15)18-16-11-7-2-3-8-12-16/h4-6,9-10,14,16-17H,2-3,7-8,11-13H2,1H3
InChIKeyQRBNRAQVGOLOQQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.23
Rot. Bonds5

About N-(2-cycloheptyloxypropyl)aniline

N-(2-cycloheptyloxypropyl)aniline (PubChem CID 55093129) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-cycloheptyloxypropyl)aniline.

Molecular Properties

Compound NameN-(2-cycloheptyloxypropyl)aniline
PubChem CID55093129
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-cycloheptyloxypropyl)aniline
SMILESCC(CNc1ccccc1)OC1CCCCCC1
InChIInChI=1S/C16H25NO/c1-14(13-17-15-9-5-4-6-10-15)18-16-11-7-2-3-8-12-16/h4-6,9-10,14,16-17H,2-3,7-8,11-13H2,1H3
InChIKeyQRBNRAQVGOLOQQ-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(oxan-4-yloxy)propyl]aniline
CID 62584422
N-[2-(cyclohexylmethoxy)propyl]aniline
CID 62584399
N-(3-cyclopentyl-2-methylpropyl)aniline
CID 102494988
N-(2-cycloheptyloxypropyl)cyclopropanamine
CID 62460037
N-[2-(oxolan-2-ylmethoxy)propyl]aniline
CID 55088776
3-cyclobutyloxybutylbenzene
CID 177473923
N-(2-propoxypropyl)aniline
CID 62585259
2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine
CID 62568312
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
cycloheptyl 2-anilinoacetate
CID 61303915
N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline
CID 62598550
N-cycloheptyl-N'-phenylethane-1,2-diamine
CID 61149751

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyloxypropyl)aniline?
The IUPAC name of N-(2-cycloheptyloxypropyl)aniline (CID 55093129) is N-(2-cycloheptyloxypropyl)aniline.
What is the SMILES notation for N-(2-cycloheptyloxypropyl)aniline?
The canonical SMILES for N-(2-cycloheptyloxypropyl)aniline is CC(CNc1ccccc1)OC1CCCCCC1.
What is the InChIKey of N-(2-cycloheptyloxypropyl)aniline?
The InChIKey is QRBNRAQVGOLOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(13-17-15-9-5-4-6-10-15)18-16-11-7-2-3-8-12-16/h4-6,9-10,14,16-17H,2-3,7-8,11-13H2,1H3.
What are the key properties of N-(2-cycloheptyloxypropyl)aniline?
N-(2-cycloheptyloxypropyl)aniline has a molecular weight of 247.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyloxypropyl)aniline is sourced from PubChem (CID 55093129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).