N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline

C15H21N — CID 66837373

IUPACN-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline
SMILESC1=C\CCC(CNc2ccccc2)CCC/1
InChIInChI=1S/C15H21N/c1-2-5-9-14(10-6-3-1)13-16-15-11-7-4-8-12-15/h1-2,4,7-8,11-12,14,16H,3,5-6,9-10,13H2/b2-1-
InChIKeyDTMNSXKOEQMVJN-UPHRSURJSA-N
MW215.34 g/mol
LogP4.24
Rot. Bonds3

About N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline

N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline (PubChem CID 66837373) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline
PubChem CID66837373
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline
SMILESC1=C\CCC(CNc2ccccc2)CCC/1
InChIInChI=1S/C15H21N/c1-2-5-9-14(10-6-3-1)13-16-15-11-7-4-8-12-15/h1-2,4,7-8,11-12,14,16H,3,5-6,9-10,13H2/b2-1-
InChIKeyDTMNSXKOEQMVJN-UPHRSURJSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-Methylaniline
CID 7515
N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
N-ethyl-3-methylaniline
CID 7603
N-Butylaniline
CID 14310
Indoline
CID 10328
N,N'-Diphenylethylenediamine
CID 67422
N,N-diethyl-m-toluidine
CID 66679
3-Anilinopropionitrile
CID 14100
N,N'-Di-o-tolylethylenediamine
CID 66759

Frequently Asked Questions

What is the IUPAC name of N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline?
The IUPAC name of N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline (CID 66837373) is N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline.
What is the SMILES notation for N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline?
The canonical SMILES for N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline is C1=C\CCC(CNc2ccccc2)CCC/1.
What is the InChIKey of N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline?
The InChIKey is DTMNSXKOEQMVJN-UPHRSURJSA-N. The full InChI is InChI=1S/C15H21N/c1-2-5-9-14(10-6-3-1)13-16-15-11-7-4-8-12-15/h1-2,4,7-8,11-12,14,16H,3,5-6,9-10,13H2/b2-1-.
What are the key properties of N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline?
N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline has a molecular weight of 215.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline is sourced from PubChem (CID 66837373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).