N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline

C18H30N2O — CID 115999128

IUPACN-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline
SMILESCOc1ccc(NC2(CN)CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-16(2)10-17(3,4)12-18(11-16,13-19)20-14-6-8-15(21-5)9-7-14/h6-9,20H,10-13,19H2,1-5H3
InChIKeyRDGFNRXUZXRMLZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.04
Rot. Bonds4

About N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline

N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline (PubChem CID 115999128) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline
PubChem CID115999128
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline
SMILESCOc1ccc(NC2(CN)CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-16(2)10-17(3,4)12-18(11-16,13-19)20-14-6-8-15(21-5)9-7-14/h6-9,20H,10-13,19H2,1-5H3
InChIKeyRDGFNRXUZXRMLZ-UHFFFAOYSA-N
XLogP4.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxyphenyl)piperazine
CID 269722
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
(4-Methoxyphenyl)-[2-(p-anisidino)ethyl]amine
CID 1809552
(5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 22879211
1-(4-Methoxyanilino)cyclohexane-1-carbonitrile
CID 4429173
N-Allyl-P-anisidine,tech.
CID 294496
N-Ethyl-4-methoxybenzenamine
CID 11804947
2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 16305022
N,N'-(1,4-Phenylenedimethylidyne)DI-P-anisidine
CID 4294941
1-(4-Methoxy-2-methylphenyl)piperazine
CID 10750797
N-benzyl-4-ethoxyaniline
CID 770112

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline?
The IUPAC name of N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline (CID 115999128) is N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline?
The canonical SMILES for N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline is COc1ccc(NC2(CN)CC(C)(C)CC(C)(C)C2)cc1.
What is the InChIKey of N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline?
The InChIKey is RDGFNRXUZXRMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16(2)10-17(3,4)12-18(11-16,13-19)20-14-6-8-15(21-5)9-7-14/h6-9,20H,10-13,19H2,1-5H3.
What are the key properties of N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline?
N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline has a molecular weight of 290.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline is sourced from PubChem (CID 115999128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).