4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine

C20H30N2 — CID 71234885

IUPAC4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine
SMILESCC1(C2=C(N)CCC(C)(C3=C(N)C=CCC3)C2)C=CCCC1
InChIInChI=1S/C20H30N2/c1-19(11-6-3-7-12-19)16-14-20(2,13-10-18(16)22)15-8-4-5-9-17(15)21/h5-6,9,11H,3-4,7-8,10,12-14,21-22H2,1-2H3
InChIKeyXUUNYBBGRNOOKS-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.70
Rot. Bonds2

About 4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine

4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine (PubChem CID 71234885) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine.

Molecular Properties

Compound Name4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine
PubChem CID71234885
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine
SMILESCC1(C2=C(N)CCC(C)(C3=C(N)C=CCC3)C2)C=CCCC1
InChIInChI=1S/C20H30N2/c1-19(11-6-3-7-12-19)16-14-20(2,13-10-18(16)22)15-8-4-5-9-17(15)21/h5-6,9,11H,3-4,7-8,10,12-14,21-22H2,1-2H3
InChIKeyXUUNYBBGRNOOKS-UHFFFAOYSA-N
XLogP4.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbonitrile
CID 44449197
5-(5-Amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine
CID 18960313
4-(4-Amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride
CID 23447158
4-[(4-Amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine
CID 66813912
4,6-Diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine
CID 67945260
4-(2,2,5,5-Tetramethylheptan-4-yl)cyclohexa-1,3-dien-1-amine
CID 68230195
4-(2-Aminoethyl)-4-pentylcyclohexa-1,5-dien-1-amine
CID 69763747
10,10-Dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine
CID 70819852
(8Z)-8-[(Z)-but-2-enylidene]-11,11-dimethyl-7-methylidene-3,4-dihydrobenzo[b]fluoren-2-amine
CID 70819863
(6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile
CID 71159851
4-(2-Aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine
CID 71234790
2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine
CID 71234802

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine?
The IUPAC name of 4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine (CID 71234885) is 4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine.
What is the SMILES notation for 4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine?
The canonical SMILES for 4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine is CC1(C2=C(N)CCC(C)(C3=C(N)C=CCC3)C2)C=CCCC1.
What is the InChIKey of 4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine?
The InChIKey is XUUNYBBGRNOOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-19(11-6-3-7-12-19)16-14-20(2,13-10-18(16)22)15-8-4-5-9-17(15)21/h5-6,9,11H,3-4,7-8,10,12-14,21-22H2,1-2H3.
What are the key properties of 4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine?
4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine has a molecular weight of 298.47 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclohexa-1,3-dien-1-yl)-4-methyl-2-(1-methylcyclohex-2-en-1-yl)cyclohexen-1-amine is sourced from PubChem (CID 71234885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).