N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline

C15H21NO — CID 43677789

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCC1CC=CCC1
InChIInChI=1S/C15H21NO/c1-17-12-14-9-5-6-10-15(14)16-11-13-7-3-2-4-8-13/h2-3,5-6,9-10,13,16H,4,7-8,11-12H2,1H3
InChIKeyKGVLSKHYOQYIJO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.60
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline

N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline (PubChem CID 43677789) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline
PubChem CID43677789
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCC1CC=CCC1
InChIInChI=1S/C15H21NO/c1-17-12-14-9-5-6-10-15(14)16-11-13-7-3-2-4-8-13/h2-3,5-6,9-10,13,16H,4,7-8,11-12H2,1H3
InChIKeyKGVLSKHYOQYIJO-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide
CID 43692145
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline
CID 43683283
N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline
CID 43094225
N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
CID 43750217
N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43102283
[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 110011353
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 60936319
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536
(4R)-4-(methoxymethyl)cyclohexene
CID 124567710
N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline
CID 43673439
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline
CID 28614317
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline (CID 43677789) is N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline is COCc1ccccc1NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline?
The InChIKey is KGVLSKHYOQYIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-12-14-9-5-6-10-15(14)16-11-13-7-3-2-4-8-13/h2-3,5-6,9-10,13,16H,4,7-8,11-12H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline?
N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline has a molecular weight of 231.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline is sourced from PubChem (CID 43677789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).